ChemSpider 2D Image | (5alpha,6alpha)-3-Acetoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl methyl 2,3,4-tri-O-acetyl-beta-D-glucopyranosiduronate | C32H37NO13

(5α,6α)-3-Acetoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate

  • Molecular FormulaC32H37NO13
  • Average mass643.635 Da
  • Monoisotopic mass643.226501 Da
  • ChemSpider ID9160312

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5α,6α)-3-Acetoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate [ACD/IUPAC Name]
(5α,6α)-3-Acetoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl-methyl-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (5α,6α)-3-(acetyloxy)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-6-yl, methyl ester, 2,3,4-triacetate [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.4±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 9.19
ACD/KOC (pH 7.4): 108.04
Polar Surface Area: 162 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 454.9±5.0 cm3

Click to predict properties on the Chemicalize site


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