[(Heptylamino)methylene]-1,1-bisphosphonate
Basic information
- CAS
71066-32-5- Standard SMILES
CCCCCCCNC(P(=O)(O)O)P(=O)(O)O- InChIKey
XKNJFNYUUOXFDP-UHFFFAOYSA-N- Molecular formula
- C8H21NO6P2
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 289.08441139
Names & identifiers
- Preferred name
- [(Heptylamino)methylene]-1,1-bisphosphonate
- IUPAC
- [(heptylamino)-phosphonomethyl]phosphonic acid
Names & synonyms
71066-32-5[(heptylamino)methylene]-1,1-bisphosphonateNSC722617CHEMBL1977976DTXSID10991354NSC-722617[(Heptylamino)methylene]bis(phosphonic acid)
Database identifiers
- CAS
71066-32-5- PubChem CID
- 405388
- DTXSID
DTXSID10991354- ChEMBL
CHEMBL1977976
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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