ChemSpider 2D Image | (3beta,5beta)-3-{[6-Deoxy-4-O-(beta-D-glucopyranosyl)-3-O-methyl-alpha-L-glucopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide | C36H54O14

(3β,5β)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-α-L-glucopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC36H54O14
  • Average mass710.806 Da
  • Monoisotopic mass710.351379 Da
  • ChemSpider ID98651498

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,5β)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-α-L-glucopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[6-Desoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-α-L-glucopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[6-Désoxy-4-O-(β-D-glucopyranosyl)-3-O-méthyl-α-L-glucopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-19-oxo-, (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: 885.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.3±6.0 kJ/mol
Flash Point: 273.1±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 173.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.01
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.01
Polar Surface Area: 211 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 500.3±5.0 cm3

Click to predict properties on the Chemicalize site


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