ChemSpider 2D Image | (9alpha,13alpha,14alpha)-3,4,14-Trihydroxy-17-[(~2~H_5_)-2-propen-1-yl]-7,8-didehydromorphinan-6-one | C19H16D5NO4

(9α,13α,14α)-3,4,14-Trihydroxy-17-[(2H5)-2-propen-1-yl]-7,8-didehydromorphinan-6-one

  • Molecular FormulaC19H16D5NO4
  • Average mass332.405 Da
  • Monoisotopic mass332.178436 Da
  • ChemSpider ID111313438

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9α,13α,14α)-3,4,14-Trihydroxy-17-[(2H5)-2-propen-1-yl]-7,8-didehydromorphinan-6-on [German] [ACD/IUPAC Name]
(9α,13α,14α)-3,4,14-Trihydroxy-17-[(2H5)-2-propen-1-yl]-7,8-didehydromorphinan-6-one [ACD/IUPAC Name]
(9α,13α,14α)-3,4,14-Trihydroxy-17-[(2H5)-2-propén-1-yl]-7,8-didéhydromorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 7,8-didehydro-3,4,14-trihydroxy-17-(2-propen-1-yl-d5)-, (9α,13α,14α)- [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: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.3±30.1 °C
Index of Refraction: 1.698
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.43
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 85.59
Polar Surface Area: 81 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 230.9±5.0 cm3

Click to predict properties on the Chemicalize site


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