ChemSpider 2D Image | (5xi)-3,19-Dihydroxy-6,23-dioxours-12-en-28-oic acid | C30H44O6

(5ξ)-3,19-Dihydroxy-6,23-dioxours-12-en-28-oic acid

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID29365073
  • defined stereocentres - 8 of 11 defined stereocentres


More details:






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

(5ξ)-3,19-Dihydroxy-6,23-dioxours-12-en-28-oic acid [ACD/IUPAC Name]
(5ξ)-3,19-Dihydroxy-6,23-dioxours-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ)-3,19-dihydroxy-6,23-dioxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3,19-dihydroxy-6,23-dioxo-, (5ξ)- [ACD/Index Name]
261768-88-1 [RN]
3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±6.0 kJ/mol
Flash Point: 358.6±28.0 °C
Index of Refraction: 1.581
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 156.19
ACD/KOC (pH 5.5): 627.55
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 2.48
ACD/KOC (pH 7.4): 9.97
Polar Surface Area: 112 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 406.5±5.0 cm3

Click to predict properties on the Chemicalize site






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