ChemSpider 2D Image | (5alpha)-3-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-14-yl (2E)-3-phenylacrylate | C27H25NO5

(5α)-3-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-14-yl (2E)-3-phenylacrylate

  • Molecular FormulaC27H25NO5
  • Average mass443.491 Da
  • Monoisotopic mass443.173279 Da
  • ChemSpider ID128910357

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (5α)-3-méthoxy-17-méthyl-6-oxo-7,8-didéhydro-4,5-époxymorphinane-14-yle [French] [ACD/IUPAC Name]
(5α)-3-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-14-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(5α)-3-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-14-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (5α)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-oxomorphinan-14-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 617.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 26.30
ACD/KOC (pH 5.5): 223.97
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 134.25
ACD/KOC (pH 7.4): 1143.19
Polar Surface Area: 65 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 324.8±5.0 cm3

Click to predict properties on the Chemicalize site


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