ChemSpider 2D Image | (3beta,5beta)-3-[(2,6-Dideoxy-3-O-methyl-beta-D-lyxo-hexopyranosyl)oxy]-8,14-dihydroxycard-20(22)-enolide | C30H46O8

(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-dihydroxycard-20(22)-enolide

  • Molecular FormulaC30H46O8
  • Average mass534.681 Da
  • Monoisotopic mass534.319275 Da
  • ChemSpider ID23285341
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didesoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didésoxy-3-O-méthyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-dihydroxy-, (3β,5β)- [ACD/Index Name]
176519-75-8 [RN]
3β-O-(β-D-diginosyl)-8,14-dihydroxy-5β,14β-card-20(22)-dienolide
8-Hydroxyodoroside A
MFCD20274980

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 674.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±6.0 kJ/mol
Flash Point: 215.1±25.0 °C
Index of Refraction: 1.583
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.02
ACD/KOC (pH 5.5): 264.68
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 17.02
ACD/KOC (pH 7.4): 264.68
Polar Surface Area: 115 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 418.8±5.0 cm3

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