ChemSpider 2D Image | (5alpha,6alpha)-17-(~2~H_3_)Methyl-3-[(~2~H_3_)methyloxy]-7,8-didehydro-4,5-epoxymorphinan-6-yl (3xi)-beta-D-ribo-hexopyranosiduronic acid | C24H23D6NO9

(5α,6α)-17-(2H3)Methyl-3-[(2H3)methyloxy]-7,8-didehydro-4,5-epoxymorphinan-6-yl (3ξ)-β-D-ribo-hexopyranosiduronic acid

  • Molecular FormulaC24H23D6NO9
  • Average mass481.525 Da
  • Monoisotopic mass481.221893 Da
  • ChemSpider ID107449183

  • defined stereocentres - 9 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)-17-(2H3)Methyl-3-[(2H3)methyloxy]-7,8-didehydro-4,5-epoxymorphinan-6-yl (3ξ)-β-D-ribo-hexopyranosiduronic acid [ACD/IUPAC Name]
(5α,6α)-17-(2H3)Methyl-3-[(2H3)methyloxy]-7,8-didehydro-4,5-epoxymorphinan-6-yl-(3ξ)-β-D-ribo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide (3ξ)-β-D-ribo-hexopyranosiduronique de (5α,6α)-17-(2H3)méthyl-3-[(2H3)méthyloxy]-7,8-didéhydro-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
β-D-ribo-Hexopyranosiduronic acid, (5α,6α)-7,8-didehydro-4,5-epoxy-17-(methyl-d3)-3-(methyl-d3-oxy)morphinan-6-yl, (3ξ)- [ACD/Index Name]

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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