ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}carbamate | C30H40N2O9S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC30H40N2O9S
  • Average mass604.712 Da
  • Monoisotopic mass604.245422 Da
  • ChemSpider ID9874718

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-3-hydroxy-4-[{[2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-3-Hydroxy-4-[{[2-(hydroxyméthyl)-2,3-dihydro-1-benzofuran-5-yl]sulfonyl}(isobutyl)amino]-1-phényl-2-butanyl}carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[[2,3-dihydro-2-(hydroxymethyl)-5-benzofuranyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]

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: 1.627
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 424.77
ACD/KOC (pH 5.5): 2647.49
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 424.71
ACD/KOC (pH 7.4): 2647.13
Polar Surface Area: 152 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 437.7±5.0 cm3

Click to predict properties on the Chemicalize site


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