ChemSpider 2D Image | (3R,3aS,6aS)-4,4-Difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C27H35F2N3O7S

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

  • Molecular FormulaC27H35F2N3O7S
  • Average mass583.644 Da
  • Monoisotopic mass583.216370 Da
  • ChemSpider ID34559014

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,3aS,6aS)-4,4-Difluorhexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
(3r,3as,6as)-4,4-Difluorohexahydrofuro[2,3-B]furan-3-Yl [(2s,3r)-4-{[(4-Aminophenyl)sulfonyl](2-Methylpropyl)amino}-3-Hydroxy-1-Phenylbutan-2-Yl]carbamate
(3R,3aS,6aS)-4,4-Difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
[(2S,3R)-4-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
G10

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.32
ACD/KOC (pH 5.5): 2153.43
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.33
ACD/KOC (pH 7.4): 2153.53
Polar Surface Area: 149 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 418.5±5.0 cm3

Click to predict properties on the Chemicalize site


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