ChemSpider 2D Image | (3aS,5R,6aR)-Hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C28H39N3O6S

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

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID10023709

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,5R,6aR)-Hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3aS,5R,6aR)-Hexahydro-2H-cyclopenta[b]furan-5-yl-[(2S,3R)-4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl ester [ACD/Index Name]
hexahydrocyclopenta[b]furanyl urethane analog 2

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: 1.617
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1243.37
ACD/KOC (pH 5.5): 5710.74
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1243.49
ACD/KOC (pH 7.4): 5711.29
Polar Surface Area: 140 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 418.5±5.0 cm3

Click to predict properties on the Chemicalize site


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