Basic information
- CAS
129951-00-4- Standard SMILES
CN(CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O- InChIKey
VFLFYDXGZMGUAF-UHFFFAOYSA-N- Molecular formula
- C14H25NO7P2
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 381.11062613
Names & identifiers
- Preferred name
- {1-Hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid)
- IUPAC
- [1-hydroxy-3-[methyl(4-phenylbutyl)amino]-1-phosphonopropyl]phosphonic acid
Names & synonyms
{1-hydroxy-3-[methyl(4-phenylbutyl)amino]propane-1,1-diyl}bis(phosphonic acid)129951-00-4CHEMBL56073GG3bisphosphonate, 39NSC724490SCHEMBL9394634BDBM25290DTXSID60926535NSC-724490Q27460702N-[methyl(4-phenylbutyl)]-3-aminopropyl-1-hydroxy-1, hydrate)
Show more names
{1-hydroxy-3-[methyl(4-phenylbutyl)amino]-1-phosphonopropyl}phosphonic acid
Database identifiers
- CAS
129951-00-4- PubChem CID
- 406416
- DTXSID
DTXSID60926535- ChEMBL
CHEMBL56073
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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