ChemSpider 2D Image | Methyl 3,27-dihydroxylup-20(29)-en-28-oate | C31H50O4

Methyl 3,27-dihydroxylup-20(29)-en-28-oate

  • Molecular FormulaC31H50O4
  • Average mass486.726 Da
  • Monoisotopic mass486.370911 Da
  • ChemSpider ID29365021

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

3,27-Dihydroxylup-20(29)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3,27-dihydroxy-, methyl ester [ACD/Index Name]
Methyl 3,27-dihydroxylup-20(29)-en-28-oate [ACD/IUPAC Name]
Methyl-3,27-dihydroxylup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
[263844-79-7] [RN]
263844-79-7 [RN]
3,27-Dihydroxy-20(29)-lupen-28-oic acid methyl ester
3,27-Dihydroxy-20(29)-lupen-28-oicacidmethylester
MFCD17214837

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

Density: 1.1±0.1 g/cm3
Boiling Point: 557.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 169.3±16.7 °C
Index of Refraction: 1.529
Molar Refractivity: 139.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 93701.89
ACD/KOC (pH 5.5): 125995.95
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 93701.89
ACD/KOC (pH 7.4): 125995.95
Polar Surface Area: 67 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 452.7±3.0 cm3

Click to predict properties on the Chemicalize site


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