Basic information
- CAS
71066-29-0- Standard SMILES
CCCCCNC(P(=O)(O)O)P(=O)(O)O- InChIKey
FQXJJCSAFHONGH-UHFFFAOYSA-N- Molecular formula
- C6H17NO6P2
- Average molar mass
- 261.15 g/mol
- Monoisotopic mass
- 261.05311126
Names & identifiers
- Preferred name
- [(Pentylamino)methylene]-1,1-bisphosphonate
- IUPAC
- [(pentylamino)-phosphonomethyl]phosphonic acid
Names & synonyms
71066-29-0[(pentylamino)methylene]-1,1-bisphosphonateNSC722614SCHEMBL6532378DTXSID50991353NSC-722614[(Pentylamino)methylene]bis(phosphonato)[(Pentylamino)methylene]bis(phosphonic acid)
Database identifiers
- CAS
71066-29-0- PubChem CID
- 405385
- DTXSID
DTXSID50991353- ChEMBL
CHEMBL56255- Nikkaji
- J1.634.450H
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…