ChemSpider 2D Image | Dibenzoylmorphine | C31H27NO5

Dibenzoylmorphine

  • Molecular FormulaC31H27NO5
  • Average mass493.550 Da
  • Monoisotopic mass493.188934 Da
  • ChemSpider ID59650718

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5α,6α)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dibenzoate [ACD/IUPAC Name]
(5α,6α)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl-dibenzoat [German] [ACD/IUPAC Name]
Dibenzoate de (5α,6α)-17-méthyl-7,8-didéhydro-4,5-époxymorphinane-3,6-diyle [French] [ACD/IUPAC Name]
Dibenzoylmorphine [Wiki]
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, dibenzoate (ester), (5α,6α)- [ACD/Index Name]
morphine dibenzoate [INN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 662.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.4±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 35.69
ACD/KOC (pH 5.5): 100.80
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 1790.88
ACD/KOC (pH 7.4): 5057.63
Polar Surface Area: 65 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 358.4±5.0 cm3

Click to predict properties on the Chemicalize site


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