Basic information
- Standard SMILES
CCCc1cc(-c2ccc(C(F)(F)F)cc2CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H](OC(=O)Oc2ccc(CCOP(=O)(OCc3ccccc3)OCc3ccccc3)cc2OC)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)cc1F- InChIKey
KDUVCOCDPSXANL-AQRVFLJFSA-N- Molecular formula
- C58H58F10NO11P
- Average molar mass
- 1,166 g/mol
Names & identifiers
- Preferred name
- 4-(2-{[bis(benzyloxy)phosphoryl]oxy}ethyl)-2-methoxyphenyl (1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-((tert-butoxycarbonyl){[4'-fluoro-5'-propyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}amino)propyl carbonate
- IUPAC
- [4-[2-bis(phenylmethoxy)phosphoryloxyethyl]-2-methoxyphenyl] [(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-(4-fluoro-2-methoxy-5-propylphenyl)-5-(trifluoromethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl] carbonate
Names & synonyms
KDUVCOCDPSXANL-AQRVFLJFSA-N4-(2-{[bis(benzyloxy)phosphoryl]oxy}ethyl)-2-methoxyphenyl (1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-((tert-butoxycarbonyl){[4'-fluoro-5'-propyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}amino)propyl carbonate
Database identifiers
- PubChem CID
- 123701204
Properties
Computed structural properties
- XLogP
- 14.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 26
- Heavy atoms
- 81
- Formal charge
- 0
- Complexity
- 1,920
Related reactions
1 records
Compound notes
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