ChemSpider 2D Image | (5alpha,6alpha)-3-(~2~H)Hydroxy-17-methyl(1,2-~2~H_2_)-7,8-didehydro-4,5-epoxymorphinan-6-yl beta-D-glucopyranosiduronic acid | C23H24D3NO9

(5α,6α)-3-(2H)Hydroxy-17-methyl(1,2-2H2)-7,8-didehydro-4,5-epoxymorphinan-6-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC23H24D3NO9
  • Average mass464.480 Da
  • Monoisotopic mass464.187408 Da
  • ChemSpider ID31046952
  • defined stereocentres - 10 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(5α,6α)-3-(2H)Hydroxy-17-methyl(1,2-2H2)-7,8-didehydro-4,5-epoxymorphinan-6-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5α,6α)-3-(2H)Hydroxy-17-methyl(1,2-2H2)-7,8-didehydro-4,5-epoxymorphinan-6-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (5α,6α)-3-(2H)hydroxy-17-méthyl(1,2-2H2)-7,8-didéhydro-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-3-(hydroxy-d)-17-methylmorphinan-6-yl-1,2-d2 [ACD/Index Name]
219533-69-4 [RN]
Morphine-d3 6-b-D-Glucuronide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 731.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.3±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 111.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -3.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 95.8±5.0 dyne/cm
Molar Volume: 279.8±5.0 cm3

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