Basic information
- CAS
13147-57-4- Standard SMILES
O=C(O)COP(=O)(O)O- InChIKey
ASCFNMCAHFUBCO-UHFFFAOYSA-N- Molecular formula
- C2 H5 O6 P
- Average molar mass
- 156.03 g/mol
- Monoisotopic mass
- 155.98237487
Overview
2-phosphoglycolic acid is the O-phospho derivative of glycolic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a glycolic acid. It is a conjugate acid of a 2-phosphoglycolate and a 2-phosphonatoglycolate(3-).
Names & identifiers
- Preferred name
- Phosphoglycolic Acid
- IUPAC
- 2-phosphonooxyacetic acid
- English name
- (phosphonooxy)acetic acid
- Molecular formula
- C2H5O6P
- Molecular weight
- 156.03
Names & synonyms
Phosphoglycolic acid2-Phosphoglycolic Acid13147-57-4phosphoglycolate2-phosphonooxyacetic acid2-(phosphonooxy)acetic acidacetic acid, (phosphonooxy)-H8593JOP13CHEBI:17150DTXSID601570642-phosphoglicolateglycolate-2-P
Show more names
Einecs 236-084-2Lithium phosphoglycolate2-O-Phosphonoglycolic acidASCFNMCAHFUBCO-UHFFFAOYSA-NAcetic acid, 2-(phosphonooxy)-2-Phosphoglycolic acid lithium saltGlycolic acid phosphate lithium salt
RefChem:862007DTXCID5079555236-084-2(Phosphonooxy)acetic acidGlycophosphoric acidGlycolic acid phosphate2-phosphoglycolateGlycolic acid, di-H phosphate
Database identifiers
- CAS
13147-57-4- PubChem CID
- 529
- DTXSID
DTXSID60157064- ChEMBL
CHEMBL47181
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 451.1 · 451.1±47.0 °C(Predicted)
- Density
- 1.909 · 1.909±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 1.42 · 1.42±0.10(Predicted)
- color
- White to Pale Yellow
- BRN
- 1773480 · 1773480
- InChI
- 1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
- InChIKey
- ASCFNMCAHFUBCO-UHFFFAOYSA-N
- SMILES
- [P](=O)(OCC(=O)O)(O)O
- FDA UNII
- 8593 JOP13 · H8593JOP13
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Acetic acid, (phosphonooxy)-
Acetic acid, (phosphonooxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- wgk
- 3
- ridadr
- 1760
- hs_code
- 29319090
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
Chemistry & industry
Pharmacology
Tissue LocationsBladder
Cellular LocationsCytoplasm
Applications
UsesPhosphoglycolic Acid is used in studies pertaining to biological and metabolic processes. It can be used in the study of human apurinic/apyrimidinic endonuclease (Ape) and its role in double strand break repair. It also has been seen to complex with cPEPCK (cytosolic phosphoenolpyruvate carboxykinase) during the study of its inhibition by various substrate analogues.
Suppliers12 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
1 records
Compound notes
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