[hydroxy(prop-1-en-2-yl)phosphoryl]oxy-prop-1-en-2-ylphosphinic acid (CED0310808)

Record Information

Version

1.0

Creation Date

2026-09-01 09:09:28 UTC

Update Date

2026-09-01 09:09:28 UTC

SynCED ID

CED0310808

Secondary Accession Numbers

CHEM356534

Identification

Common Name

[hydroxy(prop-1-en-2-yl)phosphoryl]oxy-prop-1-en-2-ylphosphinic acid

Class

Small Molecule

Description

[hydroxy(prop-1-en-2-yl)phosphoryl]oxy-prop-1-en-2-ylphosphinic acid is a compound with the formula C6H12O5P2. It has an average molecular weight of 226.10 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₂O₅P₂

Average Molecular Mass

Not Available

Monoisotopic Mass

226.016 g/mol

CAS Registry Number

177570-73-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=C)P(=O)(O)OP(=O)(C(=C)C)O

InChI Identifier

InChI=1S/C6H12O5P2/c1-5(2)12(7,8)11-13(9,10)6(3)4/h1,3H2,2,4H3,(H,7,8)(H,9,10)

InChI Key

SXOAILMFXPEWPE-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2338.0 Log mg/kg [1300:4200]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	Prediction Confidence Score 0.35 Applicability Domain 0.4 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3	Q8WN95	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 1.70e-04 Supporting Reference Compounds 1 E-value 1.32344
Click to view 3D structure	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	Q6P549	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 1.60e-04 Supporting Reference Compounds 1 E-value 1.24559
Click to view 3D structure	Type II inositol 1,4,5-trisphosphate 5-phosphatase	P32019	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 1.60e-04 Supporting Reference Compounds 1 E-value 1.24559
Click to view 3D structure	Type IV secretion-like conjugative transfer relaxase protein TraI	B1LRJ1	Escherichia coli (strain SMS-3-5 / SECEC)	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.217 Low confidence Statistical Significance 1.00e-04 Supporting Reference Compounds 1 E-value 0.778492
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	P9WNS3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.3 Statistical Significance 1.30e-04 Supporting Reference Compounds 2 E-value 1.01204
Click to view 3D structure	Squalene synthase ERG9	P29704	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.214 Low confidence Statistical Significance 3.90e-04 Supporting Reference Compounds 1 E-value 3.03612
Click to view 3D structure	Inositol-trisphosphate 3-kinase A	P17105	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.214 Low confidence Statistical Significance 1.70e-04 Supporting Reference Compounds 1 E-value 1.32344
Click to view 3D structure	4-hydroxy-3-methylbut-2-enyl diphosphate reductase	O67625	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 2.30e-04 Supporting Reference Compounds 1 E-value 1.79053
Click to view 3D structure	Inositol polyphosphate-5-phosphatase A	Q14642	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.231 Low confidence Statistical Significance 1.40e-04 Supporting Reference Compounds 2 E-value 1.08989
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.4679
Click to view 3D structure	Fructose-bisphosphate aldolase class 2	P0AB71	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 8.80e-04 Supporting Reference Compounds 1 E-value 6.85073
Click to view 3D structure	Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3	Q14573	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.222 Low confidence Statistical Significance 2.20e-04 Supporting Reference Compounds 4 E-value 1.71268
Click to view 3D structure	Type 1 InsP3 receptor isoform S2	P79248	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.214 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 2 E-value 1.47914
Click to view 3D structure	Fructose-bisphosphate aldolase A	P00883	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.2 Low confidence Statistical Significance 2.70e-04 Supporting Reference Compounds 2 E-value 2.10193
Click to view 3D structure	Triosephosphate isomerase	P00939	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.2 Low confidence Statistical Significance 2.10e-04 Supporting Reference Compounds 2 E-value 1.63483
Click to view 3D structure	Inositol 1,4,5-trisphosphate binding protein	Q62688	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.214 Low confidence Statistical Significance 2.00e-04 Supporting Reference Compounds 2 E-value 1.55698
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.194 Low confidence Statistical Significance 0.0163 Supporting Reference Compounds 15 E-value 126.894
Click to view 3D structure	Arabinose 5-phosphate isomerase KdsD	Q5NGP7	Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.2 Low confidence Statistical Significance 4.40e-04 Supporting Reference Compounds 2 E-value 3.42537
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 0.0088 Supporting Reference Compounds 14 E-value 68.2738
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 0.0561 Supporting Reference Compounds 22 E-value 436.578
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 3.60e-04 Supporting Reference Compounds 1 E-value 2.80257
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.214 Low confidence Statistical Significance 0.6912 Supporting Reference Compounds 407 E-value 5381.33
Click to view 3D structure	2-dehydro-3-deoxyphosphooctonate aldolase	Q9JZ55	Neisseria meningitidis serogroup B (strain MC58)	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.3901
Click to view 3D structure	Aminopeptidase N	P04825	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 21.2528