ChemSpider 2D Image | Acetyldigoxin | C43H66O15

Acetyldigoxin

  • Molecular FormulaC43H66O15
  • Average mass822.975 Da
  • Monoisotopic mass822.440186 Da
  • ChemSpider ID9940650
  • defined stereocentres - 21 of 21 defined stereocentres


More details:






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

(3b,5b,12b)-3-((O-3-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide
(3β,5β,12β)-3-{[3-O-Acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enol
 ide [ACD/IUPAC Name]
(3β,5β,12β)-3-{[3-O-Acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide
(3β,5β,12β)-3-{[3-O-Acetyl-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-e
 nolid [German] [ACD/IUPAC Name]
(3β,5β,12β)-3-{[3-O-Acétyl-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-é
 nolide [French] [ACD/IUPAC Name]
226-855-1 [EINECS]
3'''-Acetyldigoxin
a-Acetyldigoxin
Acetyldigoxin [Wiki]
Card-20(22)-enolide, 3-[[O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxy-, (3β,5b η,12β)- [ACD/Index Name]
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  • Miscellaneous

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

Density: 1.4±0.1 g/cm3
Boiling Point: 930.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.5±6.0 kJ/mol
Flash Point: 273.6±27.8 °C
Index of Refraction: 1.591
Molar Refractivity: 206.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.74
ACD/KOC (pH 5.5): 250.32
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.74
ACD/KOC (pH 7.4): 250.32
Polar Surface Area: 209 Å2
Polarizability: 81.7±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 609.7±5.0 cm3

Click to predict properties on the Chemicalize site





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