ChemSpider 2D Image | (3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[{[2-(aminomethyl)-1-benzofuran-5-yl]sulfonyl}(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate | C30H39N3O8S

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

  • Molecular FormulaC30H39N3O8S
  • Average mass601.711 Da
  • Monoisotopic mass601.245789 Da
  • ChemSpider ID9716494

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[{[2-(aminomethyl)-1-benzofuran-5-yl]sulfonyl}(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-4-[{[2-(aminomethyl)-1-benzofuran-5-yl]sulfonyl}(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-4-[{[2-(Aminométhyl)-1-benzofuran-5-yl]sulfonyl}(isobutyl)amino]-3-hydroxy-1-phényl-2-butanyl}carbamate de (3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[[2-(aminomethyl)-5-benzofuranyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (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: 1.639
Molar Refractivity: 158.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 7.22
ACD/KOC (pH 7.4): 52.85
Polar Surface Area: 162 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 439.6±5.0 cm3

Click to predict properties on the Chemicalize site


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