ChemSpider 2D Image | (3aS,4S,7aR)-Hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}carbamate | C29H40N2O8S

(3aS,4S,7aR)-Hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC29H40N2O8S
  • Average mass576.701 Da
  • Monoisotopic mass576.250549 Da
  • ChemSpider ID26391394

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,4S,7aR)-Hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3aS,4S,7aR)-Hexahydro-4H-furo[2,3-b]pyran-4-yl-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(isobutyl)amino]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-3-Hydroxy-4-[{[4-(hydroxyméthyl)phényl]sulfonyl}(isobutyl)amino]-1-phényl-2-butanyl}carbamate de (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl ester [ACD/Index Name]

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: 1.611
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.95
ACD/KOC (pH 5.5): 1939.21
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.92
ACD/KOC (pH 7.4): 1939.02
Polar Surface Area: 143 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 434.3±5.0 cm3

Click to predict properties on the Chemicalize site


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