ChemSpider 2D Image | Benzyl {(2S,3R)-4-[(cyclohexylmethyl)(phenylsulfonyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate | C31H38N2O5S

Benzyl {(2S,3R)-4-[(cyclohexylmethyl)(phenylsulfonyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC31H38N2O5S
  • Average mass550.709 Da
  • Monoisotopic mass550.250122 Da
  • ChemSpider ID407055

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{(2S,3R)-4-[(Cyclohexylméthyl)(phénylsulfonyl)amino]-3-hydroxy-1-phényl-2-butanyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {(2S,3R)-4-[(cyclohexylmethyl)(phenylsulfonyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
benzyl {(2S,3R)-4-[(cyclohexylmethyl)(phenylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
Benzyl-{(2S,3R)-4-[(cyclohexylmethyl)(phenylsulfonyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(cyclohexylmethyl)(phenylsulfonyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, phenylmethyl ester [ACD/Index Name]
[(1S,2R)-3-(Benzenesulfonyl-cyclohexylmethyl-amino)-1-benzyl-2-hydroxy-propyl]-carbamic acid benzyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL348282/
N-{(1S,2R)-2-Hydroxy-1-benzyl-3-[cyclohexyl(phenylsulfonyl)amino]propyl}(phenylmethoxy)carboxamide

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS032535 [DBID]
AIDS-032535 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.13
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32426.82
ACD/KOC (pH 5.5): 58950.73
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32424.89
ACD/KOC (pH 7.4): 58947.24
Polar Surface Area: 104 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 451.9±3.0 cm3

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