ChemSpider 2D Image | (5alpha,6alpha,10alpha)-3-Methoxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6,10-diol | C18H18D3NO4

(5α,6α,10α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6,10-diol

  • Molecular FormulaC18H18D3NO4
  • Average mass318.382 Da
  • Monoisotopic mass318.165894 Da
  • ChemSpider ID58783282

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,6α,10α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6,10-diol [German] [ACD/IUPAC Name]
(5α,6α,10α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6,10-diol [ACD/IUPAC Name]
(5α,6α,10α)-3-Méthoxy-17-(2H3)méthyl-7,8-didéhydro-4,5-époxymorphinane-6,10-diol [French] [ACD/IUPAC Name]
Morphinan-6,10-diol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-(methyl-d3)-, (5α,6α,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: 518.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.3±30.1 °C
Index of Refraction: 1.691
Molar Refractivity: 84.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.79
Polar Surface Area: 62 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 220.6±5.0 cm3

Click to predict properties on the Chemicalize site


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