ChemSpider 2D Image | Methyl (2alpha,3Z)-2-(benzoyloxy)-3-(hydroxyimino)olean-12-en-28-oate | C38H53NO5

Methyl (2α,3Z)-2-(benzoyloxy)-3-(hydroxyimino)olean-12-en-28-oate

  • Molecular FormulaC38H53NO5
  • Average mass603.831 Da
  • Monoisotopic mass603.392395 Da
  • ChemSpider ID17344100

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α,3Z)-2-(Benzoyloxy)-3-(hydroxyimino)oléan-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (2α,3Z)-2-(benzoyloxy)-3-(hydroxyimino)olean-12-en-28-oate [ACD/IUPAC Name]
Methyl-(2α,3Z)-2-(benzoyloxy)-3-(hydroxyimino)olean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2-(benzoyloxy)-3-(hydroxyimino)-, methyl ester, (2α,3Z)- [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: 654.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 172.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.85
ACD/LogD (pH 5.5): 10.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 85 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 506.9±7.0 cm3

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