ChemSpider 2D Image | (5alpha,10alpha)-3,10-Dihydroxy-17-[(~2~H_5_)-2-propen-1-yl]-4,5-epoxymorphinan-6-one | C19H16D5NO4

(5α,10α)-3,10-Dihydroxy-17-[(2H5)-2-propen-1-yl]-4,5-epoxymorphinan-6-one

  • Molecular FormulaC19H16D5NO4
  • Average mass332.405 Da
  • Monoisotopic mass332.178436 Da
  • ChemSpider ID58781213
  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(5α,10α)-3,10-Dihydroxy-17-[(2H5)-2-propen-1-yl]-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α,10α)-3,10-Dihydroxy-17-[(2H5)-2-propen-1-yl]-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α,10α)-3,10-Dihydroxy-17-[(2H5)-2-propén-1-yl]-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-3,10-dihydroxy-17-(2-propen-1-yl-d5)-, (5α,10α)- [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: 549.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.8±30.1 °C
Index of Refraction: 1.687
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.56
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 51.21
Polar Surface Area: 70 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 228.9±5.0 cm3

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