ChemSpider 2D Image | (3alpha,7beta,22alpha)-3-Acetoxy-7,22-dihydroxy-11-oxours-12-en-24-oic acid | C32H48O7

(3α,7β,22α)-3-Acetoxy-7,22-dihydroxy-11-oxours-12-en-24-oic acid

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID29419973

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3α,7β,22α)-3-Acetoxy-7,22-dihydroxy-11-oxours-12-en-24-oic acid [ACD/IUPAC Name]
(3α,7β,22α)-3-Acetoxy-7,22-dihydroxy-11-oxours-12-en-24-säure [German] [ACD/IUPAC Name]
Acide (3α,7β,22α)-3-acétoxy-7,22-dihydroxy-11-oxours-12-én-24-oïque [French] [ACD/IUPAC Name]
Urs-12-en-24-oic acid, 3-(acetyloxy)-7,22-dihydroxy-11-oxo-, (3α,7β,22α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 661.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 206.1±25.0 °C
Index of Refraction: 1.570
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 95.88
ACD/KOC (pH 5.5): 368.83
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 6.41
Polar Surface Area: 121 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 445.8±5.0 cm3

Click to predict properties on the Chemicalize site


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