[(Cyclopentylamino)methanediyl]bis(phosphonic acid)
Basic information
- CAS
71066-40-5- Standard SMILES
O=P(O)(O)C(NC1CCCC1)P(=O)(O)O- InChIKey
LYSZBLYYIMZCOO-UHFFFAOYSA-N- Molecular formula
- C6H15NO6P2
- Average molar mass
- 259.13 g/mol
- Monoisotopic mass
- 259.03746119
Names & identifiers
- Preferred name
- [(Cyclopentylamino)methanediyl]bis(phosphonic acid)
- IUPAC
- [(cyclopentylamino)-phosphonomethyl]phosphonic acid
Names & synonyms
71066-40-5[(cyclopentylamino)methanediyl]bis(phosphonic acid)NSC723987SCHEMBL9626232DTXSID40328098NSC-723987[(Cyclopentylamino)methylene]bis(phosphonic acid)
Database identifiers
- CAS
71066-40-5- PubChem CID
- 406071
- DTXSID
DTXSID40328098- ChEMBL
CHEMBL58830
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
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Compound notes
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