ChemSpider 2D Image | (3alpha,5beta,14xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxy-3-methylcard-20(22)-enolide | C30H46O9

(3α,5β,14ξ)-3-(β-D-Glucopyranosyloxy)-14-hydroxy-3-methylcard-20(22)-enolide

  • Molecular FormulaC30H46O9
  • Average mass550.681 Da
  • Monoisotopic mass550.314209 Da
  • ChemSpider ID143068

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3α,5β,14ξ)-3-(β-D-Glucopyranosyloxy)-14-hydroxy-3-methylcard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,5β,14ξ)-3-(β-D-Glucopyranosyloxy)-14-hydroxy-3-methylcard-20(22)-enolide [ACD/IUPAC Name]
(3α,5β,14ξ)-3-(β-D-Glucopyranosyloxy)-14-hydroxy-3-méthylcard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-14-hydroxy-3-methyl-, (3α,5β,14ξ)- [ACD/Index Name]
3 A-METHYLDIGITOXIGENIN GLUCOSIDE
3-Mdtg
3α-Methyldigitoxigenin glucoside
3α-Methyl-digitoxigenin glucoside
62190-59-4 [RN]
Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-14-hydroxy-3-methyl-, (3β,5β)- [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: 732.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.0±6.0 kJ/mol
Flash Point: 235.6±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.29
ACD/KOC (pH 5.5): 158.16
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.29
ACD/KOC (pH 7.4): 158.16
Polar Surface Area: 146 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 407.9±5.0 cm3

Click to predict properties on the Chemicalize site


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