ChemSpider 2D Image | 2-Phenylethyl [(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C31H39N3O6S

2-Phenylethyl [(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID414967

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,3R)-4-{[(4-Acétamidophényl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de 2-phényléthyle [French] [ACD/IUPAC Name]
2-Phenylethyl [(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
2-Phenylethyl-[(2S,3R)-4-{[(4-acetamidophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[[4-(acetylamino)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 2-phenylethyl ester [ACD/Index Name]
N-{4-[({(3S,2R)-2-Hydroxy-4-phenyl-3-[(2-phenylethoxy)carbonylamino]butyl}(2-methylpropyl)amino)sulfonyl]phenyl}acetamide

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

AIDS072805 [DBID]
AIDS-072805 [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: 159.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6703.44
ACD/KOC (pH 5.5): 19074.59
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6702.98
ACD/KOC (pH 7.4): 19073.27
Polar Surface Area: 133 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 469.0±3.0 cm3

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