Basic information
- Standard SMILES
O=C(O)C(CO)OP(=O)(O)O- InChIKey
GXIURPTVHJPJLF-UHFFFAOYSA-N- Molecular formula
- C3H7O7P
- Average molar mass
- 186.06 g/mol
- Monoisotopic mass
- 185.99293919
Overview
2-phosphoglyceric acid is a monophosphoglyceric acid having the phospho group at the 2-position. It is a monophosphoglyceric acid and a tetronic acid derivative. It is functionally related to a glyceric acid. It is a conjugate acid of a 2-phosphoglycerate(3-).
Names & identifiers
- Preferred name
- 2-Phosphoglyceric Acid
- IUPAC
- 3-hydroxy-2-phosphonooxypropanoic acid
- English name
- DL-2-phosphoglyerateDL-2-phosphoglyerate
- Molecular formula
- C3H7O7P
- Molecular weight
- 186.06
Names & synonyms
Show more names
Database identifiers
- CAS
2553-59-5- PubChem CID
- 59
- DTXSID
DTXSID20948430- ChEBI
CHEBI:24344- Nikkaji
- J269.462J、J71.812B
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
Collision Cross Section
133.1 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
132 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
127.65 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
141.8 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
141.9 Ų [M+Na]+
Physicochemical properties
- Boiling point
- 518.3 · 518.3±60.0 °C(Predicted)
- Density
- 1.936 · 1.936±0.06 g/cm3(Predicted)
- pka
- 1.65 · 1.65±0.10(Predicted)
Chemistry & industry
Applications
Uses2-Phosphoglyceric acid (DL-2-phosphoglyceric acid) is a glycolysis substrate. It is catalyzed by enolase into phosphoenolpyruvate (PEP)[1].
Upstream & downstream products
Downstream products
Suppliers2 total
Additional notes
DefinitionChEBI: A monophosphoglyceric acid having the phospho group at the 2-position.
Related reactions
No reaction records under the current filter.
Linked notes
Loading…