ChemSpider 2D Image | (22alpha)-22-Hydroxy-3-oxours-12-en-30-oic acid | C30H46O4

(22α)-22-Hydroxy-3-oxours-12-en-30-oic acid

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID23327237

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(22α)-22-Hydroxy-3-oxours-12-en-30-oic acid [ACD/IUPAC Name]
(22α)-22-Hydroxy-3-oxours-12-en-30-säure [German] [ACD/IUPAC Name]
Acide (22α)-22-hydroxy-3-oxours-12-én-30-oïque [French] [ACD/IUPAC Name]
Urs-12-en-30-oic acid, 22-hydroxy-3-oxo-, (22α)- [ACD/Index Name]
173991-81-6 [RN]
22-Hydroxy-3-oxo-12-ursen-30-oic acid
22α-hydroxy-3-oxo-12-ursen-30-oic acid
CHEMBL518044
Demethylregelin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518044/
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 586.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 322.2±26.6 °C
Index of Refraction: 1.561
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 8652.39
ACD/KOC (pH 5.5): 12683.80
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 136.38
ACD/KOC (pH 7.4): 199.92
Polar Surface Area: 75 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 412.5±5.0 cm3

Click to predict properties on the Chemicalize site


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