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

  • Molecular FormulaC32H42N4O8S
  • Average mass642.763 Da
  • Monoisotopic mass642.272339 Da
  • ChemSpider ID61713229

  • defined stereocentres - 5 of 6 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-[isobutyl({3-[(1S)-1-(methylamino)ethyl]-2-oxo-2H-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({3-[1-(methylamino)ethyl]-2-oxo-2H-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({3-[(1S)-1-(methylamino)ethyl]-2-oxo-2H-indol-5-yl}sulfonyl)amino]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-3-hydroxy-4-[isobutyl({3-[1-(methylamino)ethyl]-2-oxo-2H-indol-5-yl}sulfonyl)amino]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-3-Hydroxy-4-[isobutyl({3-[(1S)-1-(méthylamino)éthyl]-2-oxo-2H-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]
{(2S,3R)-3-Hydroxy-4-[isobutyl({3-[1-(méthylamino)éthyl]-2-oxo-2H-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)-2-hydroxy-3-[[[3-[(1S)-1-(methylamino)ethyl]-2-oxo-2H-indol-5-yl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[[3-[1-(methylamino)ethyl]-2-oxo-2H-indol-5-yl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
(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
0TQ

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: 1.647
Molar Refractivity: 166.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 17.70
Polar Surface Area: 164 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 457.0±7.0 cm3

Click to predict properties on the Chemicalize site


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