ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-[4-(1H-imidazol-2-ylmethoxy)phenyl]-2-butanyl}carbamate | C32H40N4O10S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-[4-(1H-imidazol-2-ylmethoxy)phenyl]-2-butanyl}carbamate

  • Molecular FormulaC32H40N4O10S
  • Average mass672.746 Da
  • Monoisotopic mass672.246521 Da
  • ChemSpider ID13097840

  • defined stereocentres - 5 of 5 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)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-[4-(1H-imidazol-2-ylmethoxy)phenyl]butan-2-yl}carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-[4-(1H-imidazol-2-ylmethoxy)phenyl]-2-butanyl}carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-[4-(1H-imidazol-2-ylmethoxy)phenyl]-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-4-[(1,3-Benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-[4-(1H-imidazol-2-ylméthoxy)phényl]-2-butanyl}carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-(1H-imidazol-2-ylmethoxy)phenyl]methyl]propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
Carbamic acid, N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-(1H-imidazol-2-ylmethoxy)phenyl]methyl]propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
(3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-1-(4-((1H-imidazol-2-yl)methoxy)phenyl)-3-hydroxy-4-(N-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)butan-2-ylcarbamate

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: 1.644
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 14.87
ACD/KOC (pH 5.5): 107.44
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 208.43
ACD/KOC (pH 7.4): 1505.83
Polar Surface Area: 179 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 466.1±5.0 cm3

Click to predict properties on the Chemicalize site


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