ChemSpider 2D Image | (3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl {(1s,2r)-3-[(1,3-Benzodioxol-5-Ylsulfonyl)(2-Ethylbutyl)amino]-1-Benzyl-2-Hydroxypropyl}carbamate | C30H40N2O9S

(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl {(1s,2r)-3-[(1,3-Benzodioxol-5-Ylsulfonyl)(2-Ethylbutyl)amino]-1-Benzyl-2-Hydroxypropyl}carbamate

  • Molecular FormulaC30H40N2O9S
  • Average mass604.712 Da
  • Monoisotopic mass604.245422 Da
  • ChemSpider ID26327060

  • 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 {(1s,2r)-3-[(1,3-Benzodioxol-5-Ylsulfonyl)(2-Ethylbutyl)amino]-1-Benzyl-2-Hydroxypropyl}carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-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)(2-ethylbutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-4-[(1,3-Benzodioxol-5-ylsulfonyl)(2-éthylbutyl)amino]-3-hydroxy-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-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
K2E

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3212.36
ACD/KOC (pH 5.5): 11266.23
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3211.93
ACD/KOC (pH 7.4): 11264.71
Polar Surface Area: 141 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 445.8±5.0 cm3

Click to predict properties on the Chemicalize site


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