ChemSpider 2D Image | oleandrigenin monodigitoxoside | C31H46O9

oleandrigenin monodigitoxoside

  • Molecular FormulaC31H46O9
  • Average mass562.692 Da
  • Monoisotopic mass562.314209 Da
  • ChemSpider ID19975773

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5β,16β)-16-(Acetyloxy)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
(3β,5β,16β)-16-Acetoxy-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-16-Acetoxy-3-[(2,6-didesoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-16-Acétoxy-3-[(2,6-didésoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
(3β,5β,16β)-3-((2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-acetate
258-733-9 [EINECS]
53735-71-0 [RN]
Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β,16β)- [ACD/Index Name]
oleandrigenin monodigitoxoside
(3β,5β,16β)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide 16-acetate
More...

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

CHEBI:63507 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 223.3±26.4 °C
Index of Refraction: 1.584
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.06
ACD/KOC (pH 5.5): 470.88
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.06
ACD/KOC (pH 7.4): 470.88
Polar Surface Area: 132 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 432.4±5.0 cm3

Click to predict properties on the Chemicalize site


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