Alpha-D-Glucose (CED0004709)

Record Information

Version

1.0

Creation Date

2016-05-25 18:53:29 UTC

Update Date

2026-04-05 14:26:47 UTC

Accession Number

CHEM022792

Identification

Common Name

Alpha-D-Glucose

Class

Small Molecule

Description

Alpha-D-Glucose is an organic compound with the formula C6H12O6 and an average molecular weight of 180.16 g/mol. Alpha-D-Glucose belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It is categorized under the superclass of organic oxygen compounds and the class of organooxygen compounds. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
alpha-D-GLC	ChEBI
alpha-Dextrose	ChEBI
a-D-GLC	Generator
Α-D-GLC	Generator
a-Dextrose	Generator
Α-dextrose	Generator
a-D-Glucose	Generator
Α-D-glucose	Generator
a-D-Glucopyranose	HMDB
a-Glucose	HMDB
alpha-D-Glucopyranose	HMDB
alpha-delta-Glucopyranose	HMDB
alpha-delta-Glucose	HMDB
alpha-Glucose	HMDB
Hexopyranose	HMDB
Anhydrous dextrose	HMDB
D Glucose	HMDB
D-Glucose	HMDB
Dextrose	HMDB
Dextrose, anhydrous	HMDB
Glucose	HMDB
Glucose monohydrate	HMDB
Glucose, (DL)-isomer	HMDB
Glucose, (L)-isomer	HMDB
Glucose, (alpha-D)-isomer	HMDB
Glucose, (beta-D)-isomer	HMDB
L Glucose	HMDB
L-Glucose	HMDB
Monohydrate, glucose	HMDB
1,3-alpha-D-Glucan	HMDB
alpha-1,3-Glucan	HMDB
alpha-D-Glucopyranoside	HMDB

Chemical Formula

C₆H₁₂O₆

Average Molecular Mass

180.156 g/mol

Monoisotopic Mass

180.063 g/mol

CAS Registry Number

492-62-6

IUPAC Name

(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Traditional Name

α-glucose

SMILES

OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1

InChI Key

WQZGKKKJIJFFOK-DVKNGEFBSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-glucopyranose (CHEBI:17925 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	782 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-2.9	ChemAxon
logS	0.64	ALOGPS
pKa (Strongest Acidic)	11.3	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	110.38 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	35.92 m³·mol⁻¹	ChemAxon
Polarizability	16.09 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0np0-9700000000-e8d638dc817e46b97d7b	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-004i-6122690000-eaf6f7adf34ccd0c667b	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-000i-9100000000-53278ff57ca00e1b5d1a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0079-9000000000-c4182c64988208ac78b0	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9100000000-57ee067515dbaeec1e27	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ab9-9100000000-311a61760b7c0dc3a7e1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ab9-9100000000-f2beec08615d57ac1a02	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0ab9-9100000000-eb694004566014e0b267	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-906b2fd231873b000e08	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-9000000000-3cd19dc7a445df26b86d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01q9-0900000000-b0bc47623e7b2ca31c02	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03ea-3900000000-648e1637af29cf2a3518	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0007-9200000000-9e6f46a1cbf52d6e347a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-2900000000-a4ec4f0b1e29e360a952	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01t9-6900000000-7b3ea9c64ecc8d4ac867	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-9100000000-ec2bf4918640a0a36398	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01qa-0900000000-04ceb34d441ff6a75763	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-9400000000-a8f1ceab155611f949c1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ow-9000000000-358f68fc2b7a72c27546	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-2900000000-2448926b508622464fe7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-8900000000-4c073cb93b78120113e6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-ece70093ab5d3c331ac4	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
6013.0	Log mg/kg	[3400:11000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
70	Stormwater runoff	Automotive & urban infrastructure	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
596	Acaricides	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available
664	Fire Fighting Gels	Fire suppression systems & agents	Not Available
669	PFAS Fire Fighting Foam	Fire suppression systems & agents	Not Available
671	Airplanes And Helicopters	Aviation & Aerospace	Not Available
678	Nitrogenous Fertilisers	Agriculture & land management	Not Available
679	Phosphatic Fertilisers	Agriculture & land management	Not Available
684	Cements	Building & Construction	Not Available
685	Ceramics	Building & Construction	Not Available
686	Clay Wares	Building & Construction	Not Available
688	Glass Coatings	Building & Construction	Not Available
689	Glass Fibres	Building & Construction	Not Available
692	Silica Free Oxide Glass	Building & Construction	Not Available
693	Silica Glass	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available
698	Jewellery	Mining & metal processing	Not Available
711	Coloured Pencils	Paper, pulp & fiber products	Not Available
712	Combination Pens	Paper, pulp & fiber products	Not Available
717	Fountain Pens	Paper, pulp & fiber products	Not Available
720	Ink Reservoir Pens2	Paper, pulp & fiber products	Not Available
726	Pens	Paper, pulp & fiber products	Not Available
730	Contact Lens Cases	Healthcare, pharmaceuticals & veterinary products	Not Available
732	Spectacle Cases	Healthcare, pharmaceuticals & veterinary products	Not Available
734	Coating Compositions	Building & Construction	Not Available
735	Explosives	Defense & military infrastructure	Not Available
736	Fuses	Electrical & Electronic Equipment	Not Available
737	Chemical Igniters	Household items	Not Available
738	Cooling Circuit Water	Industrial manufacturing & chemical processing	Not Available
739	Inks	Paper, pulp & fiber products	Not Available
740	Paper	Paper, pulp & fiber products	Not Available
741	Pigment Pastes	Paper, pulp & fiber products	Not Available
742	Leather Tanning	Textiles, leather & furnishings	Not Available
743	Sludge Treatment	Wastewater, sanitation & biosolids	Not Available
744	Water, Wastewater, & Sewage Treatment	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Lectin	B4EH87	Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))	Predicted (SEA)	0.0778492
Click to view 3D structure	Type 1 fimbrin D-mannose specific adhesin	P08191	Escherichia coli K-12	Predicted (SEA)	0.0778492
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	2.49118
Click to view 3D structure	Neutral alpha-glucosidase C	Q8TET4	Humans	Predicted (SEA)	0.934191
Click to view 3D structure	Alpha-galactosidase A	D3ZJF9	Rattus norvegicus	Predicted (SEA)	0.934191
Click to view 3D structure	Oligo-1,6-glucosidase IMA1	P53051	Saccharomyces cerevisiae S288c	Predicted (SEA)	1.86838
Click to view 3D structure	Cytidine deaminase	P56389	Mus musculus	Predicted (SEA)	4.51525
Click to view 3D structure	Cytidine deaminase	P32320	Humans	Predicted (SEA)	1.86838
Click to view 3D structure	PA-I galactophilic lectin	Q05097	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	0.934191
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	3.26967
Click to view 3D structure	CD44 antigen	P16070	Humans	Predicted (SEA)	1.40129
Click to view 3D structure	CD44 antigen	P15379	Mus musculus	Predicted (SEA)	1.40129
Click to view 3D structure	Solute carrier family 28 member 3	Q9HAS3	Humans	Predicted (SEA)	11.7552
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	226.93
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	4.20386
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	179.209
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	334.207
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	178.197
Click to view 3D structure	Adenosine deaminase	P56658	Bos taurus	Predicted (SEA)	22.3427
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	254.567
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	157.956
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	146.59
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	397.42
Click to view 3D structure	Adenosine receptor A3	P28647	Rattus norvegicus	Predicted (SEA)	76.4479
Click to view 3D structure	Adenosine kinase	A5U4N0	Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)	Predicted (SEA)	25.7681