ChemSpider 2D Image | (5xi)-3,6,19-Trihydroxy-23-oxours-12-en-28-oic acid | C30H46O6

(5ξ)-3,6,19-Trihydroxy-23-oxours-12-en-28-oic acid

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID29365071

  • defined stereocentres - 8 of 12 defined stereocentres

More details:

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

(5ξ)-3,6,19-Trihydroxy-23-oxours-12-en-28-oic acid [ACD/IUPAC Name]
(5ξ)-3,6,19-Trihydroxy-23-oxours-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ)-3,6,19-trihydroxy-23-oxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3,6,19-trihydroxy-23-oxo-, (5ξ)- [ACD/Index Name]
131984-82-2 [RN]
3,6,19-Trihydroxy-23-oxo-12-ursen-28-oic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 647.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±6.0 kJ/mol
Flash Point: 359.2±28.0 °C
Index of Refraction: 1.587
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 186.23
ACD/KOC (pH 5.5): 707.14
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 11.25
Polar Surface Area: 115 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 407.5±5.0 cm3

Click to predict properties on the Chemicalize site


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