ChemSpider 2D Image | (2alpha,3alpha,14beta)-2,3,23-Trihydroxy-30-methoxy-30-oxoolean-12-en-28-oic acid | C31H48O7

(2α,3α,14β)-2,3,23-Trihydroxy-30-methoxy-30-oxoolean-12-en-28-oic acid

  • Molecular FormulaC31H48O7
  • Average mass532.709 Da
  • Monoisotopic mass532.340027 Da
  • ChemSpider ID101935844

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3α,14β)-2,3,23-Trihydroxy-30-methoxy-30-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3α,14β)-2,3,23-Trihydroxy-30-methoxy-30-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3α,14β)-2,3,23-trihydroxy-30-méthoxy-30-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-ene-28,30-dioic acid, 2,3,23-trihydroxy-, 30-methyl ester, (2α,3α,14β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 199.3±25.0 °C
Index of Refraction: 1.582
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 663.64
ACD/KOC (pH 5.5): 1736.02
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 10.59
ACD/KOC (pH 7.4): 27.70
Polar Surface Area: 124 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 428.8±5.0 cm3

Click to predict properties on the Chemicalize site


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