ChemSpider 2D Image | (5alpha,6alpha)-3-Methoxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl beta-D-glucopyranosiduronic acid | C24H26D3NO9

(5α,6α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC24H26D3NO9
  • Average mass478.507 Da
  • Monoisotopic mass478.203064 Da
  • ChemSpider ID9278010

  • 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-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5α,6α)-3-Methoxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (5α,6α)-3-méthoxy-17-(2H3)méthyl-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-methoxy-17-(methyl-d3)morphinan-6-yl [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
219533-59-2 [RN]
Codeine-D3 6-β-D-Glucuronide 0.1 mg/ml in Water

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -3.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 304.6±5.0 cm3

Click to predict properties on the Chemicalize site


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