ChemSpider 2D Image | Diethyl [(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]phosphonate | C33H49N2O12PS

Diethyl [(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]phosphonate

  • Molecular FormulaC33H49N2O12PS
  • Average mass728.787 Da
  • Monoisotopic mass728.274353 Da
  • ChemSpider ID20561553

  • 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-phénylbutyl](isobutyl)sulfamoyl}-2-méthoxyphénoxy)méthyl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[[[3-[(diethoxyphosphinyl)methoxy]-4-methoxyphenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
Diethyl [(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]phosphonate [ACD/IUPAC Name]
Diethyl-[(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]phosphonat [German] [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: 1.574
Molar Refractivity: 181.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 465.39
ACD/KOC (pH 5.5): 2826.34
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 465.32
ACD/KOC (pH 7.4): 2825.96
Polar Surface Area: 187 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 549.6±5.0 cm3

Click to predict properties on the Chemicalize site


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