ChemSpider 2D Image | (3beta,5beta,7beta,14xi)-3-{[2,6-Dideoxy-alpha-D-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-alpha-D-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-alpha-D-ribo-hexopyranosyl]oxy}-7,14-dihydroxycard-20(22)-enolide | C41H64O14

(3β,5β,7β,14ξ)-3-{[2,6-Dideoxy-α-D-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-α-D-ribo-hexopyranosyl]oxy}-7,14-dihydroxycard-20(22)-enolide

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID2339610
  • defined stereocentres - 20 of 21 defined stereocentres


More details:






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

(3β,5β,7β,14ξ)-3-{[2,6-Dideoxy-α-D-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-α-D-ribo-hexopyranosyl]oxy}-7,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,7β,14ξ)-3-{[2,6-Didesoxy-α-D-ribo-hexopyranosyl-(1->3)-[2,6-didesoxy-α-D-ribo-hexopyranosyl-(1->4)]-2,6-didesoxy-α-D-ribo-hexopyranosyl]oxy}-7,14-dihydroxycard-20(22)-enol 
id [German] [ACD/IUPAC Name]
(3β,5β,7β,14ξ)-3-{[2,6-Didésoxy-α-D-ribo-hexopyranosyl-(1->3)-[2,6-didésoxy-α-D-ribo-hexopyranosyl-(1->4)]-2,6-didésoxy-α-D-ribo-hexopyranosyl]oxy}-7,14-dihydroxycard-20(22)-énol 
ide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->3)-O-[2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->4)]-2,6-dideoxy-α-D-ribo-hexopyranosyl]oxy]-7,14-dihydroxy-, (3β,5β,7be
 ta,14ξ)- [ACD/Index Name]
18810-27-0 [RN]
7-Hydroxydigitoxin
7β-Hydroxydigitoxin
Card-20(22)-enolide, 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)-7,14-dihydroxy-, (3β,5β,7β)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 911.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.5±6.0 kJ/mol
Flash Point: 271.9±27.8 °C
Index of Refraction: 1.602
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.63
ACD/KOC (pH 5.5): 104.27
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.63
ACD/KOC (pH 7.4): 104.27
Polar Surface Area: 203 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 572.3±5.0 cm3

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