ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(3R,4S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-benzyl-4-hydroxypentanoyl]carbamate | C29H39N3O8S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(3R,4S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-benzyl-4-hydroxypentanoyl]carbamate

  • Molecular FormulaC29H39N3O8S
  • Average mass589.700 Da
  • Monoisotopic mass589.245789 Da
  • ChemSpider ID8479376

  • 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 [(3R,4S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-benzyl-4-hydroxypentanoyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(3R,4S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-benzyl-4-hydroxypentanoyl]carbamat [German] [ACD/IUPAC Name]
[(3R,4S)-5-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-3-benzyl-4-hydroxypentanoyl]carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC 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: 1.617
Molar Refractivity: 152.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.41
ACD/KOC (pH 5.5): 1380.08
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 114.03
ACD/KOC (pH 7.4): 918.14
Polar Surface Area: 166 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 437.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement