Found 25 results

Search term: MF = 'C_{40}H_{54}O_{5}'
ChemSpider 2D Image | Methyl (5xi)-3-oxo-27-{[(2E)-3-phenyl-2-propenoyl]oxy}olean-12-en-28-oate | C40H54O5

Methyl (5ξ)-3-oxo-27-{[(2E)-3-phenyl-2-propenoyl]oxy}olean-12-en-28-oate

  • Molecular FormulaC40H54O5
  • Average mass614.854 Da
  • Monoisotopic mass614.397095 Da
  • ChemSpider ID9976594

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5ξ)-3-Oxo-27-{[(2E)-3-phényl-2-propenoyl]oxy}oléan-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (5ξ)-3-oxo-27-{[(2E)-3-phenyl-2-propenoyl]oxy}olean-12-en-28-oate [ACD/IUPAC Name]
Methyl-(5ξ)-3-oxo-27-{[(2E)-3-phenyl-2-propenoyl]oxy}olean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-oxo-27-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (5ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 271.1±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 177.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.94
ACD/LogD (pH 5.5): 9.68
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4390647.00
ACD/LogD (pH 7.4): 9.68
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4390647.00
Polar Surface Area: 70 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 541.0±5.0 cm3

Click to predict properties on the Chemicalize site


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