ChemSpider 2D Image | (3beta)-3-(beta-D-Glucopyranosyloxy)-14-hydroxy-19-oxobufa-4,20,22-trienolide | C30H40O10

(3β)-3-(β-D-Glucopyranosyloxy)-14-hydroxy-19-oxobufa-4,20,22-trienolide

  • Molecular FormulaC30H40O10
  • Average mass560.633 Da
  • Monoisotopic mass560.262146 Da
  • ChemSpider ID19965310

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β)-3-(β-D-Glucopyranosyloxy)-14-hydroxy-19-oxobufa-4,20,22-trienolid [German] [ACD/IUPAC Name]
(3β)-3-(β-D-Glucopyranosyloxy)-14-hydroxy-19-oxobufa-4,20,22-trienolide [ACD/IUPAC Name]
(3β)-3-(β-D-Glucopyranosyloxy)-14-hydroxy-19-oxobufa-4,20,22-triénolide [French] [ACD/IUPAC Name]
3-β-((β-D-Glucopyranosyl)oxy)-14-hydroxy-19-oxo-bufa-4,20,22-trienolide
Bufa-4,20,22-trienolide, 3-(β-D-glucopyranosyloxy)-14-hydroxy-19-oxo-, (3β)- [ACD/Index Name]
73309-75-8 [RN]
Bufa-4,20,22-trienolide, 3-β-((β-D-glucopyranosyl)oxy)-14-hydroxy-19-oxo-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 791.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±6.0 kJ/mol
Flash Point: 258.3±26.4 °C
Index of Refraction: 1.642
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.16
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.94
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.94
Polar Surface Area: 163 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 390.9±5.0 cm3

Click to predict properties on the Chemicalize site


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