ChemSpider 2D Image | [(5-{[(2R,3S)-3-({[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}-2-methoxyphenoxy)methyl]phosphonic acid | C29H41N2O12PS

[(5-{[(2R,3S)-3-({[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}-2-methoxyphenoxy)methyl]phosphonic acid

  • Molecular FormulaC29H41N2O12PS
  • Average mass672.681 Da
  • Monoisotopic mass672.211792 Da
  • ChemSpider ID20561552

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(5-{[(2R,3S)-3-({[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}-2-methoxyphenoxy)methyl]phosphonic acid [ACD/IUPAC Name]
[(5-{[(2R,3S)-3-({[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](isobutyl)sulfamoyl}-2-methoxyphenoxy)methyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(5-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phénylbutyl](isobutyl)sulfamoyl}-2-méthoxyphénoxy)méthyl]phosphonique [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[[4-methoxy-3-(phosphonomethoxy)phenyl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-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: 1.611
Molar Refractivity: 162.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.86
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 468.1±5.0 cm3

Click to predict properties on the Chemicalize site


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