ChemSpider 2D Image | (5alpha)-17-(~13~C,~2~H_3_)Methyl-6-oxo-4,5-epoxymorphinan-3-yl beta-D-glucopyranosiduronic acid | C2213CH24D3NO9

(5α)-17-(13C,2H3)Methyl-6-oxo-4,5-epoxymorphinan-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC2213CH24D3NO9
  • Average mass465.473 Da
  • Monoisotopic mass465.190765 Da
  • ChemSpider ID107449722
  • defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α)-17-(13C,2H3)Methyl-6-oxo-4,5-epoxymorphinan-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5α)-17-(13C,2H3)Methyl-6-oxo-4,5-epoxymorphinan-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (5α)-17-(13C,2H3)méthyl-6-oxo-4,5-époxymorphinane-3-yle [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-3-(β-D-glucopyranuronosyloxy)-17-(methyl-13C-d3)-, (5α)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 89.5±5.0 dyne/cm
Molar Volume: 285.4±5.0 cm3

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