ChemSpider 2D Image | Rubiprasin B | C32H52O4

Rubiprasin B

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID10217316

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-13-Hydroxy-12-oxooleanan-3-yl acetate [ACD/IUPAC Name]
(3β)-13-Hydroxy-12-oxooleanan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-13-hydroxy-12-oxooléanan-3-yle [French] [ACD/IUPAC Name]
Oleanan-12-one, 3-(acetyloxy)-13-hydroxy-, (3β)- [ACD/Index Name]
Rubiprasin B
125263-66-3 [RN]
MFCD28100704

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

Density: 1.1±0.1 g/cm3
Boiling Point: 549.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 163.5±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 8.06
ACD/BCF (pH 5.5): 787531.44
ACD/KOC (pH 5.5): 578252.94
ACD/LogD (pH 7.4): 8.06
ACD/BCF (pH 7.4): 787527.94
ACD/KOC (pH 7.4): 578250.44
Polar Surface Area: 64 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 459.8±5.0 cm3

Click to predict properties on the Chemicalize site


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