ChemSpider 2D Image | (3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl {(1s,2r)-1-Benzyl-3-[(2-Ethylbutyl){[4-(Hydroxymethyl)phenyl]sulfonyl}amino]-2-Hydroxypropyl}carbamate | C30H42N2O8S

(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl {(1s,2r)-1-Benzyl-3-[(2-Ethylbutyl){[4-(Hydroxymethyl)phenyl]sulfonyl}amino]-2-Hydroxypropyl}carbamate

  • Molecular FormulaC30H42N2O8S
  • Average mass590.728 Da
  • Monoisotopic mass590.266174 Da
  • ChemSpider ID26326777

  • 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)-1-Benzyl-3-[(2-Ethylbutyl){[4-(Hydroxymethyl)phenyl]sulfonyl}amino]-2-Hydroxypropyl}carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-4-[(2-Éthylbutyl){[4-(hydroxyméthyl)phényl]sulfonyl}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-[(2-ethylbutyl)[[4-(hydroxymethyl)phenyl]sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
F53

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.80
ACD/KOC (pH 5.5): 2845.50
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.73
ACD/KOC (pH 7.4): 2845.11
Polar Surface Area: 143 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 450.4±5.0 cm3

Click to predict properties on the Chemicalize site


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