ChemSpider 2D Image | (1beta,3beta,10alpha,17alpha)-1,3,19-Trihydroxy-2-oxours-12-en-28-oic acid | C30H46O6

(1β,3β,10α,17α)-1,3,19-Trihydroxy-2-oxours-12-en-28-oic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID113611274

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1β,3β,10α,17α)-1,3,19-Trihydroxy-2-oxours-12-en-28-oic acid [ACD/IUPAC Name]
(1β,3β,10α,17α)-1,3,19-Trihydroxy-2-oxours-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (1β,3β,10α,17α)-1,3,19-trihydroxy-2-oxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 1,3,19-trihydroxy-2-oxo-, (1β,3β,10α,17α)- [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: 649.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±6.0 kJ/mol
Flash Point: 360.7±28.0 °C
Index of Refraction: 1.586
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 236.44
ACD/KOC (pH 5.5): 851.72
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 13.50
Polar Surface Area: 115 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 407.4±5.0 cm3

Click to predict properties on the Chemicalize site


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