ChemSpider 2D Image | (3beta,5beta,17alpha,20S)-3-{[2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycardanolide | C41H66O13

(3β,5β,17α,20S)-3-{[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}-14-hydroxycardanolide

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID18483

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(3β,5β,17α,20S)-3-{[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}-14-hydroxycardanolide [ACD/IUPAC Name]
(3β,5β,17α,20S)-3-{[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}-14-hydroxycardanolid [German] [ACD/IUPAC Name]
(3β,5β,17α,20S)-3-{[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}-14-hydroxycardanolide [French] [ACD/IUPAC Name]
Cardanolide, 3-[[O-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]-14-hydroxy-, (3β,5β,17α,20S)- [ACD/Index Name]
(5β)-3β-((O-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)-14-hydroxycardanolide
20,22-Dihydrodigitoxin
5-β-Cardanolide, 3-β-((O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-β-D-hexopyranosyl-(1-4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy)-14-hydroxy-
Digitoxin, 20,22-dihydro- (7CI)
Dihydrodigitoxin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 895.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.8±6.0 kJ/mol
Flash Point: 266.5±27.8 °C
Index of Refraction: 1.585
Molar Refractivity: 195.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.12
ACD/KOC (pH 5.5): 523.37
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.12
ACD/KOC (pH 7.4): 523.37
Polar Surface Area: 183 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 582.0±5.0 cm3

Click to predict properties on the Chemicalize site


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