Basic information
- Standard SMILES
O=C(O)CC(CC(=O)O)(OP(=O)(O)O)C(=O)O- InChIKey
XTRHYDMWPCTCKN-UHFFFAOYSA-N- Molecular formula
- C6H9O10P
- Average molar mass
- 272.1 g/mol
- Monoisotopic mass
- 271.99333312
Overview
potent inhibitor of hydroxylapatite crystal growth in medium supersaturated with respect to Ca(2+) & phosphate
Names & identifiers
- Preferred name
- 2-(Phosphonooxy)-1,2,3-propanetricarboxylic acid
- IUPAC
- 2-phosphonooxypropane-1,2,3-tricarboxylic acid
- English name
- phosphocitrate
- Molecular formula
- C6H9O10P
- Molecular weight
- 272.1
Names & synonyms
phosphocitrate2565-87-91,2,3-Propanetricarboxylic acid, 2-(phosphonooxy)-DTXSID301803492-(Phosphonooxy)-1,2,3-propanetricarboxylic acidRefChem:909449DTXCID901028402-phosphonooxypropane-1,2,3-tricarboxylic acid2-(phosphonooxy)propane-1,2,3-tricarboxylic acidSCHEMBL73267AKOS0057628562-phosphonooxy-1,2,3 propanetricarboxylic acid
Show more names
Citric phosphatePhosphocitric acid3-O-Phosphonocitric acidCitric acid dihydrogen phosphate
Database identifiers
- CAS
2565-87-9- PubChem CID
- 123745
- DTXSID
DTXSID30180349- Nikkaji
- J227.974F
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 300 ℃ · >300℃
- Boiling point
- 457.6 · 457.6±55.0 °C(Predicted)
- Density
- 1.985 · 1.985
- pka
- 1.53 · 1.53±0.10(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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