Basic information
- CAS
4379-09-3- Standard SMILES
O=C(O)CCC(CCC(=O)O)(C(=O)O)P(=O)(O)O- InChIKey
RZTGKNWFRVUWMJ-UHFFFAOYSA-N- Molecular formula
- C8H13O9P
- Average molar mass
- 284.16 g/mol
- Monoisotopic mass
- 284.02971899
Names & identifiers
- Preferred name
- 3-Phosphonopentane-1,3,5-tricarboxylic acid
- IUPAC
- 3-phosphonopentane-1,3,5-tricarboxylic acid
- English name
- 3-phosphonopentane-1,3,5-tricarboxylic acid
- Molecular formula
- C8H13O9P
- Molecular weight
- 284.157181
Names & synonyms
3-Phosphonopentane-1,3,5-tricarboxylic acid4379-09-3EINECS 224-483-4SCHEMBL9495952DTXSID10195936RZTGKNWFRVUWMJ-UHFFFAOYSA-NNS000486313-phosphono-1,3,5-pentanetricarboxylic acid1,3,5-Pentanetricarboxylic acid,3-phosphono-
Database identifiers
- CAS
4379-09-3- PubChem CID
- 78085
- DTXSID
DTXSID10195936- EC Number
- 224-483-4
- Nikkaji
- J205.758A
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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