ChemSpider 2D Image | (2alpha,3beta,5xi,6beta,9xi)-2,3,6,23-Tetrahydroxyolean-12-en-28-oic acid | C30H48O6

(2α,3β,5ξ,6β,9ξ)-2,3,6,23-Tetrahydroxyolean-12-en-28-oic acid

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID22913178
  • defined stereocentres - 9 of 11 defined stereocentres


More details:






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

(2α,3β,5ξ,6β,9ξ)-2,3,6,23-Tetrahydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β,5ξ,6β,9ξ)-2,3,6,23-Tetrahydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2α,3β,5ξ,6β,9ξ)-2,3,6,23-tétrahydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2α,3β,5ξ,6β,9ξ)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 638.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 353.7±28.0 °C
Index of Refraction: 1.593
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 548.76
ACD/KOC (pH 5.5): 1699.72
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 8.62
ACD/KOC (pH 7.4): 26.71
Polar Surface Area: 118 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

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