ChemSpider 2D Image | (3R,3aS,4R,6aR)-4-Methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C29H40N2O9S

(3R,3aS,4R,6aR)-4-Methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC29H40N2O9S
  • Average mass592.701 Da
  • Monoisotopic mass592.245422 Da
  • ChemSpider ID34537463
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3r,3as,4r,6ar)-4-Methoxyhexahydrofuro[2,3-B]furan-3-Yl [(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]carbamate
(3R,3aS,4R,6aR)-4-Methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,4R,6aR)-4-Methoxyhexahydrofuro[2,3-b]furan-3-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 (3R,3aS,4R,6aR)-4-méthoxyhexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,4R,6aR)-hexahydro-4-methoxyfuro[2,3-b]furan-3-yl ester [ACD/Index Name]
G04

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1091.33
ACD/KOC (pH 5.5): 5201.98
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1091.18
ACD/KOC (pH 7.4): 5201.27
Polar Surface Area: 141 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 449.6±5.0 cm3

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