ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3R)-4-{(4-cyano-2,2-dimethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C29H41N3O6S

2-Methyl-2-propanyl [(2S,3R)-4-{(4-cyano-2,2-dimethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC29H41N3O6S
  • Average mass559.717 Da
  • Monoisotopic mass559.271606 Da
  • ChemSpider ID421408

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,3R)-4-{(4-Cyano-2,2-diméthylbutyl)[(4-méthoxyphényl)sulfonyl]amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3R)-4-{(4-cyano-2,2-dimethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3R)-4-{(4-cyan-2,2-dimethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(4-cyano-2,2-dimethylbutyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

AIDS095422 [DBID]
AIDS-095422 [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: 1.551
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6966.02
ACD/KOC (pH 5.5): 19606.49
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6965.76
ACD/KOC (pH 7.4): 19605.74
Polar Surface Area: 137 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 474.8±3.0 cm3

Click to predict properties on the Chemicalize site


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