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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 123745Generated: October 23, 2026

2-(Phosphonooxy)-1,2,3-propanetricarboxylic acid

phosphocitrate · Citric phosphate · Phosphocitric acid · 3-O-Phosphonocitric acid · Citric acid dihydrogen phosphate · 2-(phosphonooxy)propane-1,2,3-tricarboxylic acid · 2-(Phosphonooxy)-1,2,3-propanetricarboxylic acid · 1,2,3-Propanetricarboxylic acid, 2-(phosphonooxy)-

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2-(Phosphonooxy)-1,2,3-propanetricarboxylic acid molecular structure

Identifiers & Physical Properties

CAS No.2565-87-9
Molecular formulaC6H9O10P
Average molar mass272.1 g/mol
Monoisotopic mass271.99333312 g/mol
SMILESO=C(O)CC(CC(=O)O)(OP(=O)(O)O)C(=O)O
InChIKeyXTRHYDMWPCTCKN-UHFFFAOYSA-N
PubChem CID123745
DTXSIDDTXSID30180349

Chemical & Physical Properties

XLogP-3.1
Topological polar surface area179
Hydrogen bond donors5
Hydrogen bond acceptors10
Rotatable bonds7
Heavy atoms17
Formal charge0
Complexity364
Melting point>300℃
Boiling point457.6±55.0 °C(Predicted)
Density1.985
pKa (acidity coefficient)1.53±0.10(Predicted)