ChemSpider 2D Image | 3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide | C30H46O9

3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide

  • Molecular FormulaC30H46O9
  • Average mass550.681 Da
  • Monoisotopic mass550.314209 Da
  • ChemSpider ID481865

More details:

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

3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
3-[(6-Desoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
3-[(6-Désoxy-3-O-méthylhexopyranosyl)oxy]-5,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy- [ACD/Index Name]
4-{5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-7,11-dihydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl}-2,5-dihydrofuran-2-one
Emicymarin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 728.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 234.5±26.4 °C
Index of Refraction: 1.594
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 83.79
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 83.79
Polar Surface Area: 135 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 416.6±5.0 cm3

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