2,3-Diphosphonobutanedioic acid
Basic information
- CAS
5693-11-8- Standard SMILES
O=C(O)C(C(C(=O)O)P(=O)(O)O)P(=O)(O)O- InChIKey
SQCGCSDAPBUORZ-UHFFFAOYSA-N- Molecular formula
- C4H8O10P2
- Average molar mass
- 278.05 g/mol
- Monoisotopic mass
- 277.95927044
Names & identifiers
- Preferred name
- 2,3-Diphosphonobutanedioic acid
- IUPAC
- 2,3-diphosphonobutanedioic acid
Names & synonyms
2,3-diphosphonobutanedioic acidNSC6747112,3-Diphosphonosuccinic acid5693-11-8SCHEMBL4093592CHEMBL1967141DTXSID10327659NSC-674711NCI60_026505
Database identifiers
- CAS
5693-11-8- PubChem CID
- 384666
- DTXSID
DTXSID10327659- ChEMBL
CHEMBL1967141
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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