ChemSpider 2D Image | Methyl (5xi,9xi,18xi)-3-hydroxyurs-12-en-28-oate | C31H50O3

Methyl (5ξ,9ξ,18ξ)-3-hydroxyurs-12-en-28-oate

  • Molecular FormulaC31H50O3
  • Average mass470.727 Da
  • Monoisotopic mass470.376007 Da
  • ChemSpider ID34552261

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(5ξ,9ξ,18ξ)-3-Hydroxyurs-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5ξ,9ξ,18ξ)-3-hydroxyurs-12-en-28-oate [ACD/IUPAC Name]
Methyl-(5ξ,9ξ,18ξ)-3-hydroxyurs-12-en-28-oat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3-hydroxy-, methyl ester, (5ξ,9ξ,18ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 529.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 192.2±22.9 °C
Index of Refraction: 1.541
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 9.47
ACD/LogD (pH 5.5): 9.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1974793.75
ACD/LogD (pH 7.4): 9.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1974793.75
Polar Surface Area: 47 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 440.5±5.0 cm3

Click to predict properties on the Chemicalize site


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