ChemSpider 2D Image | (1beta,3beta,5beta)-3-[(6-Deoxy-3-O-methyl-beta-L-allopyranosyl)oxy]-1,14-dihydroxycard-20(22)-enolide | C30H46O9

(1β,3β,5β)-3-[(6-Deoxy-3-O-methyl-β-L-allopyranosyl)oxy]-1,14-dihydroxycard-20(22)-enolide

  • Molecular FormulaC30H46O9
  • Average mass550.681 Da
  • Monoisotopic mass550.314209 Da
  • ChemSpider ID28515180
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(1β,3β,5β)-3-[(6-Deoxy-3-O-methyl-β-L-allopyranosyl)oxy]-1,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(1β,3β,5β)-3-[(6-Desoxy-3-O-methyl-β-L-allopyranosyl)oxy]-1,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(1β,3β,5β)-3-[(6-Désoxy-3-O-méthyl-β-L-allopyranosyl)oxy]-1,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-β-L-allopyranosyl)oxy]-1,14-dihydroxy-, (1β,3β,5β)- [ACD/Index Name]
663-95-6 [RN]
acovenoside A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.3±6.0 kJ/mol
Flash Point: 236.4±26.4 °C
Index of Refraction: 1.593
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: 1.97
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 74.21
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.88
ACD/KOC (pH 7.4): 74.21
Polar Surface Area: 135 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 417.4±5.0 cm3

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