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

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

  • Molecular FormulaC36H56O14
  • Average mass712.821 Da
  • Monoisotopic mass712.367004 Da
  • ChemSpider ID9449063

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,5β)-3-{[4-O-(6-Deoxy-3-O-methyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[4-O-(6-Desoxy-3-O-methyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-5,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[4-O-(6-Désoxy-3-O-méthyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}-5,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[4-O-(6-deoxy-3-O-methyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy]-5,14-dihydroxy-, (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: 899.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.5±6.0 kJ/mol
Flash Point: 277.1±27.8 °C
Index of Refraction: 1.617
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.49
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.49
Polar Surface Area: 214 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 500.4±5.0 cm3

Click to predict properties on the Chemicalize site


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