ChemSpider 2D Image | (3beta,5beta,16beta)-3-{[6-Deoxy-4-O-(D-glucopyranosyl)-3-O-methyl-D-glucopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide | C36H56O14

(3β,5β,16β)-3-{[6-Deoxy-4-O-(D-glucopyranosyl)-3-O-methyl-D-glucopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide

  • Molecular FormulaC36H56O14
  • Average mass712.821 Da
  • Monoisotopic mass712.367004 Da
  • ChemSpider ID23064

  • defined stereocentres - 17 of 19 defined stereocentres

More details:

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

(3β,5β,16β)-3-{[6-Deoxy-4-O-(D-glucopyranosyl)-3-O-methyl-D-glucopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-3-{[6-Desoxy-4-O-(D-glucopyranosyl)-3-O-methyl-D-glucopyranosyl]oxy}-14,16-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-3-{[6-Désoxy-4-O-(D-glucopyranosyl)-3-O-méthyl-D-glucopyranosyl]oxy}-14,16-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-4-O-D-glucopyranosyl-3-O-methyl-D-glucopyranosyl)oxy]-14,16-dihydroxy-, (3β,5β,16β)- [ACD/Index Name]
8001-36-3 [RN]
DIGITALIN

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

Density: 1.4±0.1 g/cm3
Boiling Point: 889.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.8±6.0 kJ/mol
Flash Point: 273.6±27.8 °C
Index of Refraction: 1.616
Molar Refractivity: 175.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.62
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.62
Polar Surface Area: 214 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 501.2±5.0 cm3

Click to predict properties on the Chemicalize site


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