Basic information
- CAS
195000-04-5- Standard SMILES
O=P(O)(O)C(NCCc1ccc(O)cc1)P(=O)(O)O- InChIKey
SQDIFGUZSZTPCW-UHFFFAOYSA-N- Molecular formula
- C9H15NO7P2
- Average molar mass
- 311.17 g/mol
- Monoisotopic mass
- 311.03237581
Names & identifiers
- Preferred name
- ({[2-(4-Hydroxyphenyl)ethyl]amino}methanediyl)bis(phosphonic acid)
- IUPAC
- [[2-(4-hydroxyphenyl)ethylamino]-phosphonomethyl]phosphonic acid
Names & synonyms
({[2-(4-hydroxyphenyl)ethyl]amino}methanediyl)bis(phosphonic acid)195000-04-5NSC722631CHEMBL299443DTXSID40328073NSC-722631(4-HYDROXYPHENETHYLAMINO)METHYLENEDIPHOSPHONIC ACID({[2-(4-Hydroxyphenyl)ethyl]amino}methylene)bis(phosphonic acid)[[[2-(4-hydroxyphenyl)ethyl]amino]methylene]-1,1-bisphosphon ate
Database identifiers
- CAS
195000-04-5- PubChem CID
- 405405
- DTXSID
DTXSID40328073- ChEMBL
CHEMBL299443- Nikkaji
- J2.061.834E
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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