ChemSpider 2D Image | (8alpha,10alpha,18alpha,19alpha)-2,19-Dihydroxy-3-oxoursa-1,12-dien-28-oic acid | C30H44O5

(8α,10α,18α,19α)-2,19-Dihydroxy-3-oxoursa-1,12-dien-28-oic acid

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID114814863

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,10α,18α,19α)-2,19-Dihydroxy-3-oxoursa-1,12-dien-28-oic acid [ACD/IUPAC Name]
(8α,10α,18α,19α)-2,19-Dihydroxy-3-oxoursa-1,12-dien-28-säure [German] [ACD/IUPAC Name]
Acide (8α,10α,18α,19α)-2,19-dihydroxy-3-oxoursa-1,12-dién-28-oïque [French] [ACD/IUPAC Name]
Ursa-1,12-dien-28-oic acid, 2,19-dihydroxy-3-oxo-, (8α,10α,18α,19α)- [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: 627.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 347.3±28.0 °C
Index of Refraction: 1.586
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 2725.19
ACD/KOC (pH 5.5): 4928.89
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 41.92
ACD/KOC (pH 7.4): 75.82
Polar Surface Area: 95 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 402.1±5.0 cm3

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