ChemSpider 2D Image | Methyl (3alpha,16alpha)-3,16,25-trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oate | C32H50O5

Methyl (3α,16α)-3,16,25-trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oate

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID78442479

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3α,16α)-3,16,25-Trihydroxy-24-méthylènelanosta-7,9(11)-dién-21-oate de méthyle [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 3,16,25-trihydroxy-24-methylene-, methyl ester, (3α,16α)- [ACD/Index Name]
Methyl (3α,16α)-3,16,25-trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oate [ACD/IUPAC Name]
Methyl-(3α,16α)-3,16,25-trihydroxy-24-methylenlanosta-7,9(11)-dien-21-oat [German] [ACD/IUPAC Name]
methyl 25-hydroxy-3-epidehydrotumulosate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 625.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 192.4±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11905.52
ACD/KOC (pH 5.5): 28774.62
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11905.52
ACD/KOC (pH 7.4): 28774.62
Polar Surface Area: 87 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 457.6±5.0 cm3

Click to predict properties on the Chemicalize site


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