ChemSpider 2D Image | {(1R,2R,4aS,5R,8aS)-2-Acetoxy-5-[2-{[4-(acetylsulfamoyl)phenyl]amino}-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl acetate | C32H42N2O9S

{(1R,2R,4aS,5R,8aS)-2-Acetoxy-5-[2-{[4-(acetylsulfamoyl)phenyl]amino}-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl acetate

  • Molecular FormulaC32H42N2O9S
  • Average mass630.749 Da
  • Monoisotopic mass630.261108 Da
  • ChemSpider ID58915413

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

{(1R,2R,4aS,5R,8aS)-2-Acetoxy-5-[2-{[4-(acetylsulfamoyl)phenyl]amino}-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylendecahydro-1-naphthalinyl}methyl-acetat [German] [ACD/IUPAC Name]
{(1R,2R,4aS,5R,8aS)-2-Acetoxy-5-[2-{[4-(acetylsulfamoyl)phenyl]amino}-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl}methyl acetate [ACD/IUPAC Name]
Acetamide, N-[[4-[[2-[(1R,4aS,5R,6R,8aS)-6-(acetyloxy)-5-[(acetyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-(2,5-dihydro-2-oxo-3-furanyl)ethyl]amino]phenyl]sulfonyl]- [ACD/Index Name]
Acétate de {(1R,2R,4aS,5R,8aS)-2-acétoxy-5-[2-{[4-(acétylsulfamoyl)phényl]amino}-2-(2-oxo-2,5-dihydro-3-furanyl)éthyl]-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalényl}méthyle [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: 1.580
Molar Refractivity: 162.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 441.44
ACD/KOC (pH 5.5): 2360.99
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 20.77
ACD/KOC (pH 7.4): 111.11
Polar Surface Area: 163 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 486.8±5.0 cm3

Click to predict properties on the Chemicalize site


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