ChemSpider 2D Image | Methyl (5xi,18alpha)-2-(hydroxymethylene)-3,12-dioxoolean-9(11)-en-28-oate | C32H46O5

Methyl (5ξ,18α)-2-(hydroxymethylene)-3,12-dioxoolean-9(11)-en-28-oate

  • Molecular FormulaC32H46O5
  • Average mass510.705 Da
  • Monoisotopic mass510.334534 Da
  • ChemSpider ID57576652

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5ξ,18α)-2-(Hydroxyméthylène)-3,12-dioxooléan-9(11)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5ξ,18α)-2-(hydroxymethylene)-3,12-dioxoolean-9(11)-en-28-oate [ACD/IUPAC Name]
Methyl-(5ξ,18α)-2-(hydroxymethylen)-3,12-dioxoolean-9(11)-en-28-oat [German] [ACD/IUPAC Name]
Olean-9(11)-en-28-oic acid, 2-(hydroxymethylene)-3,12-dioxo-, methyl ester, (5ξ,18α)- [ACD/Index Name]
(4aS,6aR,6bS,12aS,14aR,14bR,Z)-methyl 11-(hydroxymethylene)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate
305818-39-7 [RN]
CS-13925
methyl 2-hydroxymethylene-3,12-dioxoolean-9(11)-en-28-oate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 185.0±23.6 °C
Index of Refraction: 1.560
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 23467.91
ACD/KOC (pH 5.5): 33501.26
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 448.68
ACD/KOC (pH 7.4): 640.51
Polar Surface Area: 81 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 441.9±5.0 cm3

Click to predict properties on the Chemicalize site


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