ChemSpider 2D Image | (3aR,3bR,4S,7aR,8aS)-Decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C32H44N2O8S

(3aR,3bR,4S,7aR,8aS)-Decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC32H44N2O8S
  • Average mass616.765 Da
  • Monoisotopic mass616.281860 Da
  • ChemSpider ID30832046

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3ar,3br,4s,7ar,8as)-Decahydrofuro[2,3-B][1]benzofuran-4-Yl [(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]carbamate
(3aR,3bR,4S,7aR,8aS)-Decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3aR,3bR,4S,7aR,8aS)-Decahydrofuro[2,3-b][1]benzofuran-4-yl-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]carbamate de (3aR,3bR,4S,7aR,8aS)-décahydrofuro[2,3-b][1]benzofuran-4-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3aR,3bR,4S,7aR,8aS)-decahydrofuro[2,3-b]benzofuran-4-yl ester [ACD/Index Name]
G79

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6073.60
ACD/KOC (pH 5.5): 17773.89
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6073.06
ACD/KOC (pH 7.4): 17772.29
Polar Surface Area: 132 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 473.6±5.0 cm3

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