ChemSpider 2D Image | Ilekudinoside E | C47H76O18

Ilekudinoside E

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID10269638

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

1-O-[(3β)-3-{[3-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-19-hydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3-{[3-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-19-hydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3-{[3-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}-19-hydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Ilekudinoside E
β-D-Glucopyranose, 1-O-[(3β)-3-[(3-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-19-hydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
3-O-β-D-glucopyranosyl(1->3)-α-L-arabinopyranosyl pomolic acid 28-O-β-D-glucopyranosyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 998.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.1±6.0 kJ/mol
Flash Point: 284.9±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 230.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 152.63
ACD/KOC (pH 5.5): 1271.67
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 152.63
ACD/KOC (pH 7.4): 1271.66
Polar Surface Area: 295 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 649.7±5.0 cm3

Click to predict properties on the Chemicalize site


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