ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[isobutyl({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)amino]-1-phenyl-2-butanyl}carbamate | C32H42N4O8S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[isobutyl({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)amino]-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC32H42N4O8S
  • Average mass642.763 Da
  • Monoisotopic mass642.272339 Da
  • ChemSpider ID17233397

  • Double-bond stereo - Double-bond stereo

    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)-3-Hydroxy-4-[({(3z)-3-[1-(Methylamino)ethylidene]-2-Oxo-2,3-Dihydro-1h-Indol-5-Yl}sulfonyl)(2-Methylpropyl)amino]-1-Phenylbutan-2-Yl}carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[isobutyl({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)amino]-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-3-hydroxy-4-[isobutyl({(3Z)-3-[1-(methylamino)ethyliden]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)amino]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-3-Hydroxy-4-[isobutyl({(3Z)-3-[1-(méthylamino)éthylidène]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)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-[[[(3Z)-2,3-dihydro-3-[1-(methylamino)ethylidene]-2-oxo-1H-indol-5-yl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]f uran-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: 1.632
Molar Refractivity: 167.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 203.83
ACD/KOC (pH 5.5): 1458.44
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 260.38
ACD/KOC (pH 7.4): 1863.11
Polar Surface Area: 164 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 470.5±5.0 cm3

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