Basic information
- Standard SMILES
CCCCO[P@](=O)(COc1ccccc1)C1CCC(CCNCC(O)COc2ccc(OCc3ccccc3)cc2)CC1- InChIKey
WRGLGMCTPCTWRB-VAHCWLMVSA-N- Molecular formula
- C35H48NO6P
- Average molar mass
- 609.7 g/mol
Names & identifiers
- Preferred name
- (S)-4-{2-[2-hydroxy-3-(4-benzyloxyphenoxy)propylamino]ethyl}phenoxymethylcyclohexylphosphinic acid, n-butyl ester
- IUPAC
- 1-[2-[4-[butoxy(phenoxymethyl)phosphoryl]cyclohexyl]ethylamino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
Names & synonyms
WRGLGMCTPCTWRB-VAHCWLMVSA-N(S)-4-{2-[2-hydroxy-3-(4-benzyloxyphenoxy)propylamino]ethyl}phenoxymethylcyclohexylphosphinic acid, n-butyl ester(S)-4-{2-[3-(4-Benzyloxyphenoxy)-2-hydroxypropylamino]ethyl}phenoxymethylcyclohexylphosphinic acid, n-butyl ester
Database identifiers
- PubChem CID
- 86752197
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 757
Related reactions
2 records
Compound notes
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