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

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

  • Molecular FormulaC32H42N4O8S
  • Average mass642.763 Da
  • Monoisotopic mass642.272339 Da
  • ChemSpider ID28516554

  • 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)-4-[({3-[(dimethylamino)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-4-[({3-[(dimethylamino)methylen]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-4-[({3-[(Diméthylamino)méthylène]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(isobutyl)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-[[[3-[(dimethylamino)methylene]-2,3-dihydro-2-oxo-1H-indol-5-yl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,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: 1.636
Molar Refractivity: 168.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 288.67
ACD/KOC (pH 5.5): 1990.29
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 297.60
ACD/KOC (pH 7.4): 2051.85
Polar Surface Area: 155 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 469.5±5.0 cm3

Click to predict properties on the Chemicalize site


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