[(Cyclooctylamino)-phosphonomethyl]phosphonic acid
Basic information
- CAS
124351-86-6- Standard SMILES
O=P(O)(O)C(NC1CCCCCCC1)P(=O)(O)O- InChIKey
YLTFIVZSTCIQHV-UHFFFAOYSA-N- Molecular formula
- C9H21NO6P2
- Average molar mass
- 301.21 g/mol
- Monoisotopic mass
- 301.08441139
Names & identifiers
- Preferred name
- [(Cyclooctylamino)-phosphonomethyl]phosphonic acid
- IUPAC
- [(cyclooctylamino)-phosphonomethyl]phosphonic acid
Names & synonyms
124351-86-6NSC723988SCHEMBL9777403DTXSID90924786NSC-723988[(Cyclooctylamino)methylene]bis(phosphonic acid)
Database identifiers
- CAS
124351-86-6- PubChem CID
- 406072
- DTXSID
DTXSID90924786- ChEMBL
CHEMBL412889- Nikkaji
- J527.344G
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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