ChemSpider 2D Image | Morphine-D6 solution | C17H13D6NO3

Morphine-D6 solution

  • Molecular FormulaC17H13D6NO3
  • Average mass291.375 Da
  • Monoisotopic mass291.174164 Da
  • ChemSpider ID48059918
  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(5α,6α)-17-(2H3)Methyl(15,15,16-2H3)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol [German] [ACD/IUPAC Name]
(5α,6α)-17-(2H3)Methyl(15,15,16-2H3)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol [ACD/IUPAC Name]
(5α,6α)-17-(2H3)Méthyl(15,15,16-2H3)-7,8-didéhydro-4,5-époxymorphinane-3,6-diol [French] [ACD/IUPAC Name]
1334606-17-5 [RN]
200-659-6 [EINECS]
Morphinan-15,15,16-d3-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(methyl-d3)-, (5α,6α)- [ACD/Index Name]
Morphine-D6 solution
(4R,4aR,7S,7aR,12bS)-1,1,2-trideuterio-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 476.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.8±28.7 °C
Index of Refraction: 1.719
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.43
Polar Surface Area: 53 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 197.6±5.0 cm3

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