α-D-glucose 1-phosphate (CHEM042454)

Record Information
Version1.0
Creation Date2016-05-27 02:03:25 UTC
Update Date2026-04-05 11:55:56 UTC
Accession NumberCHEM042454
Identification
Common Nameα-D-glucose 1-phosphate
ClassSmall Molecule
Description
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDF3D SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
1-O-Phosphono-alpha-D-glucopyranoseChEBI
alpha-D-Glucopyranosyl phosphateChEBI
alpha-D-Glucose-1-phosphateChEBI
Cori esterChEBI, KEGG
D-Glucose 1-phosphateChEBI
D-Glucose alpha-1-phosphateChEBI, KEGG
1-O-Phosphono-a-D-glucopyranoseGenerator
1-O-Phosphono-α-D-glucopyranoseGenerator
Glucose 1-phosphoric acidGenerator
a-D-Glucopyranosyl phosphateGenerator
a-D-Glucopyranosyl phosphoric acidGenerator
alpha-D-Glucopyranosyl phosphoric acidGenerator
α-D-Glucopyranosyl phosphateGenerator
α-D-Glucopyranosyl phosphoric acidGenerator
a-D-Glucose-1-phosphateGenerator
a-D-Glucose-1-phosphoric acidGenerator
alpha-D-Glucose-1-phosphoric acidGenerator
α-D-Glucose-1-phosphateGenerator
α-D-Glucose-1-phosphoric acidGenerator
D-Glucose 1-phosphoric acidGenerator
D-Glucose a-1-phosphateGenerator
D-Glucose a-1-phosphoric acidGenerator
D-Glucose alpha-1-phosphoric acidGenerator
D-Glucose α-1-phosphateGenerator
D-Glucose α-1-phosphoric acidGenerator
alpha-Glucose-1-phosphateMeSH
alpha-D-Glucose 1-phosphateKEGG
a-D-Glucose 1-phosphateGenerator
a-D-Glucose 1-phosphoric acidGenerator
alpha-D-Glucose 1-phosphoric acidGenerator
α-D-Glucose 1-phosphoric acidGenerator
Glucose-1-phosphateMeSH
Glucose 1-phosphateHMDB
Glucose monophosphateHMDB
α-D-Glucose 1-phosphateHMDB
Chemical FormulaC6H13O9P
Average Molecular Mass260.136 g/mol
Monoisotopic Mass260.030 g/mol
CAS Registry NumberNot Available
IUPAC Name{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
Traditional Nameα-D-glucose 1-phosphate
SMILESOC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChI IdentifierInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChI KeyHXXFSFRBOHSIMQ-VFUOTHLCSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharide phosphates
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Oxane
  • Alkyl phosphate
  • Phosphoric acid ester
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility32.3 g/LALOGPS
logP-2ALOGPS
logP-3.1ChemAxon
logS-0.91ALOGPS
pKa (Strongest Acidic)1.16ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity46.8 m³·mol⁻¹ChemAxon
Polarizability20.72 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDDB02843
HMDB IDHMDB0001586
FooDB IDFDB021830
Phenol Explorer IDNot Available
KNApSAcK IDC00007482
BiGG IDNot Available
BioCyc IDGLC-1-P
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkGlucose-1-phosphate
Chemspider ID58977
ChEBI ID29042
PubChem Compound ID65533
Kegg Compound IDC00103
YMDB IDYMDB00970
ECMDB IDECMDB01586
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=12596851
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=8948464