ChemSpider 2D Image | 4-{[(2R,3S)-3-({[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}benzoic acid | C28H36N2O9S

4-{[(2R,3S)-3-({[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}benzoic acid

  • Molecular FormulaC28H36N2O9S
  • Average mass576.658 Da
  • Monoisotopic mass576.214172 Da
  • ChemSpider ID34521111

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-{[(2r,3s)-3-({[(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yloxy]carbonyl}amino)-2-Hydroxy-4-Phenylbutyl](2-Methylpropyl)sulfamoyl}benzoic Acid
4-{[(2R,3S)-3-({[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[(2R,3S)-3-({[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phénylbutyl](isobutyl)sulfamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[(2R,3S)-3-[[[[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy]carbonyl]amino]-2-hydroxy-4-phenylbutyl](2-methylpropyl)amino]sulfonyl]- [ACD/Index Name]
G07

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: 1.622
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 10.69
ACD/KOC (pH 5.5): 57.83
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 160 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 415.0±5.0 cm3

Click to predict properties on the Chemicalize site


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