ChemSpider 2D Image | (3S,3aR,5R,6aR)-3-[(Methoxycarbonyl)amino]hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C31H43N3O9S

(3S,3aR,5R,6aR)-3-[(Methoxycarbonyl)amino]hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC31H43N3O9S
  • Average mass633.753 Da
  • Monoisotopic mass633.271973 Da
  • ChemSpider ID28493891

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,3aR,5R,6aR)-3-[(Methoxycarbonyl)amino]hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3S,3aR,5R,6aR)-3-[(Methoxycarbonyl)amino]hexahydro-2H-cyclopenta[b]furan-5-yl-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]carbamate de (3S,3aR,5R,6aR)-3-[(méthoxycarbonyl)amino]hexahydro-2H-cyclopenta[b]furan-5-yle [French] [ACD/IUPAC Name]
Methyl N-[(3s,3ar,5r,6ar)-5-[[(2s,3r)-4-[(4-Methoxyphenyl)sulfonyl-(2-Methylpropyl)amino]-3-Oxidanyl-1-Phenyl-Butan-2-Yl]carbamoyloxy]-3,3a,4,5,6,6a-Hexahydro-2h-Cyclopenta[b]furan-3-Yl]carbamate
0JV

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: 1.599
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2798.01
ACD/KOC (pH 5.5): 10205.87
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2797.48
ACD/KOC (pH 7.4): 10203.94
Polar Surface Area: 161 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 479.9±5.0 cm3

Click to predict properties on the Chemicalize site


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