ChemSpider 2D Image | (3S)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(cyclopentyloxy){[3-(methylamino)phenyl]sulfonyl}amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate | C29H39N3O8S

(3S)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(cyclopentyloxy){[3-(methylamino)phenyl]sulfonyl}amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC29H39N3O8S
  • Average mass589.700 Da
  • Monoisotopic mass589.245789 Da
  • ChemSpider ID8092139

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3S)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(cyclopentyloxy){[3-(methylamino)phenyl]sulfonyl}amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3S)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-4-[(cyclopentyloxy){[3-(methylamino)phenyl]sulfonyl}amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-4-[(Cyclopentyloxy){[3-(méthylamino)phényl]sulfonyl}amino]-3-hydroxy-1-phényl-2-butanyl}carbamate de (3S)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(cyclopentyloxy)[[3-(methylamino)phenyl]sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S)-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: 1.625
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.43
ACD/KOC (pH 5.5): 1612.85
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.63
ACD/KOC (pH 7.4): 1629.42
Polar Surface Area: 144 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 431.6±5.0 cm3

Click to predict properties on the Chemicalize site


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