ChemSpider 2D Image | Methyl 19-hydroxy-3-oxours-12-en-28-oate | C31H48O4

Methyl 19-hydroxy-3-oxours-12-en-28-oate

  • Molecular FormulaC31H48O4
  • Average mass484.710 Da
  • Monoisotopic mass484.355255 Da
  • ChemSpider ID57256922

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

19-Hydroxy-3-oxours-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 19-hydroxy-3-oxours-12-en-28-oate [ACD/IUPAC Name]
Methyl-19-hydroxy-3-oxours-12-en-28-oat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 19-hydroxy-3-oxo-, methyl ester [ACD/Index Name]
14440-23-4 [RN]
19α-Hydroxy-3-oxours-12-ene-28-oic acid methyl ester
3-Oxopomolic acid methyl ester
methyl (1R,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylate
pomonic acid methyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 169.1±23.6 °C
Index of Refraction: 1.547
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 194204.59
ACD/KOC (pH 5.5): 212281.39
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 194204.59
ACD/KOC (pH 7.4): 212281.39
Polar Surface Area: 64 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 436.5±5.0 cm3

Click to predict properties on the Chemicalize site


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