ChemSpider 2D Image | (3alpha)-3-Hydroxyolean-12-ene-23,28-dioic acid | C30H46O5

(3α)-3-Hydroxyolean-12-ene-23,28-dioic acid

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID28424566

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α)-3-Hydroxyolean-12-en-23,28-disäure [German] [ACD/IUPAC Name]
(3α)-3-Hydroxyolean-12-ene-23,28-dioic acid [ACD/IUPAC Name]
Acide (3α)-3-hydroxyoléan-12-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Olean-12-ene-23,28-dioic acid, 3-hydroxy-, (3α)- [ACD/Index Name]
226562-47-6 [RN]
3-Hydroxy-12-oleanene-23,28-dioic acid
MFCD20260851

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 342.3±28.0 °C
Index of Refraction: 1.575
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 1309.53
ACD/KOC (pH 5.5): 1452.52
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 3.61
ACD/KOC (pH 7.4): 4.00
Polar Surface Area: 95 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 408.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement