ChemSpider 2D Image | (3beta,5beta)-5,14-Dihydroxy-3-(2-{[(4-methylphenyl)sulfonyl]oxy}acetoxy)-19-oxocard-20(22)-enolide | C32H40O10S

(3β,5β)-5,14-Dihydroxy-3-(2-{[(4-methylphenyl)sulfonyl]oxy}acetoxy)-19-oxocard-20(22)-enolide

  • Molecular FormulaC32H40O10S
  • Average mass616.719 Da
  • Monoisotopic mass616.234192 Da
  • ChemSpider ID19994210
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3β,5β)-5,14-Dihydroxy-3-(2-{[(4-methylphenyl)sulfonyl]oxy}acetoxy)-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-5,14-Dihydroxy-3-(2-{[(4-methylphenyl)sulfonyl]oxy}acetoxy)-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-5,14-Dihydroxy-3-(2-{[(4-méthylphényl)sulfonyl]oxy}acétoxy)-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 5,14-dihydroxy-3-(((((4-methylphenyl)sulfonyl)oxy)acetyl)oxy)-19-oxo-, (3β,5β)-
Card-20(22)-enolide, 5,14-dihydroxy-3-[[2-[[(4-methylphenyl)sulfonyl]oxy]acetyl]oxy]-19-oxo-, (3β,5β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 782.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.7±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.68
ACD/KOC (pH 5.5): 641.98
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.68
ACD/KOC (pH 7.4): 641.98
Polar Surface Area: 162 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 437.9±5.0 cm3

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