ChemSpider 2D Image | 17alpha-Acetoxy-3beta-((beta-D-glucopyranosyl)oxy)-6alpha-methylpregn-4-en-20-one | C30H46O9

17α-Acetoxy-3β-((β-D-glucopyranosyl)oxy)-6α-methylpregn-4-en-20-one

  • Molecular FormulaC30H46O9
  • Average mass550.681 Da
  • Monoisotopic mass550.314209 Da
  • ChemSpider ID117090

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,6α)-3-(β-D-Glucopyranosyloxy)-6-methyl-20-oxopregn-4-en-17-yl acetate [ACD/IUPAC Name]
(3β,6α)-3-(β-D-Glucopyranosyloxy)-6-methyl-20-oxopregn-4-en-17-yl-acetat [German] [ACD/IUPAC Name]
17α-Acetoxy-3β-((β-D-glucopyranosyl)oxy)-6α-methylpregn-4-en-20-one
Acétate de (3β,6α)-3-(β-D-glucopyranosyloxy)-6-méthyl-20-oxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Pregn-4-en-20-one, 17-(acetyloxy)-3-(β-D-glucopyranosyloxy)-6-methyl-, (3β,6α)- [ACD/Index Name]
144356-81-0 [RN]
17-Acetoxy-3-(glucopyransosyl)oxy-6-methylpregn-4-en-20-one
17-AGOMP

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

Density: 1.3±0.1 g/cm3
Boiling Point: 681.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.4±6.0 kJ/mol
Flash Point: 215.6±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.37
ACD/KOC (pH 5.5): 542.41
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.37
ACD/KOC (pH 7.4): 542.41
Polar Surface Area: 143 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 426.4±5.0 cm3

Click to predict properties on the Chemicalize site


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