ChemSpider 2D Image | 3-[3-(4-{[(2R,3S)-3-{[(Hexahydrofuro[2,3-b]furan-3-yloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}phenyl)-1,2,4-oxadiazol-5-yl]propanoic acid | C32H40N4O10S

3-[3-(4-{[(2R,3S)-3-{[(Hexahydrofuro[2,3-b]furan-3-yloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}phenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

  • Molecular FormulaC32H40N4O10S
  • Average mass672.746 Da
  • Monoisotopic mass672.246521 Da
  • ChemSpider ID8394422

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

1,2,4-Oxadiazole-5-propanoic acid, 3-[4-[[[(2R,3S)-3-[[[(hexahydrofuro[2,3-b]furan-3-yl)oxy]carbonyl]amino]-2-hydroxy-4-phenylbutyl](2-methylpropyl)amino]sulfonyl]phenyl]- [ACD/Index Name]
3-[3-(4-{[(2R,3S)-3-{[(Hexahydrofuro[2,3-b]furan-3-yloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}phenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [ACD/IUPAC Name]
3-[3-(4-{[(2R,3S)-3-{[(Hexahydrofuro[2,3-b]furan-3-yloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}phenyl)-1,2,4-oxadiazol-5-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[3-(4-{[(2R,3S)-3-{[(hexahydrofuro[2,3-b]furan-3-yloxy)carbonyl]amino}-2-hydroxy-4-phénylbutyl](isobutyl)sulfamoyl}phényl)-1,2,4-oxadiazol-5-yl]propanoïque [French] [ACD/IUPAC 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: 1.630
Molar Refractivity: 168.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 9.79
ACD/KOC (pH 5.5): 69.77
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 199 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 473.0±5.0 cm3

Click to predict properties on the Chemicalize site


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