Pentane diphosphonate
Basic information
- CAS
4672-28-0- Standard SMILES
CCCCC(P(=O)(O)O)P(=O)(O)O- InChIKey
IRYOZLKMXHUGKP-UHFFFAOYSA-N- Molecular formula
- C5H14O6P2
- Average molar mass
- 232.11 g/mol
- Monoisotopic mass
- 232.02656216
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Pentane diphosphonate
- IUPAC
- 1-phosphonopentylphosphonic acid
Names & synonyms
Pentane diphosphonatePentylidenebisphosphonic acid4672-28-0RefChem:171419CHEMBL322551SCHEMBL277855SCHEMBL5485637DTXSID80963644BDBM50132602(1-Phosphono-pentyl)-phosphonic acidPentane-1,1-diylbis(phosphonic acid)
Database identifiers
- CAS
4672-28-0- PubChem CID
- 165259
- DTXSID
DTXSID80963644- ChEMBL
CHEMBL322551- Nikkaji
- J2.032.606I
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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