ChemSpider 2D Image | (1beta,3alpha,5beta,11alpha)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide | C29H44O12

(1β,3α,5β,11α)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide

  • Molecular FormulaC29H44O12
  • Average mass584.653 Da
  • Monoisotopic mass584.283264 Da
  • ChemSpider ID9701938

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1β,3α,5β,11α)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide [ACD/IUPAC Name]
(1β,3α,5β,11α)-3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(1β,3α,5β,11α)-3-[(6-Désoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1β,3α,5β,11α)- [ACD/Index Name]
[630-60-4] [RN]
3-[(6-Deoxy-a-L-mannopyranosyl)oxy]-1,5,11a,14,19-pentahydoxycard-20(22)-enolide
g-Strophanthin
Ouabain [Wiki]
RN3675000
Toxins extracted from living sources, solid, n.o.s. (Ouabain)

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

UN3462 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      ATPase Tocris Bioscience 1076
      ATPases/GTPases Tocris Bioscience 1076
      Enzymes Tocris Bioscience 1076
      Ion Pumps/Transporters Tocris Bioscience 1076
      Na+/K+ ATPase Tocris Bioscience 1076
      Na+/K+ ATPase inhibitor Tocris Bioscience 1076
      Selective Na+, K+-ATPase inhibitor. Tocris Bioscience 1076
      Transporters Tocris Bioscience 1076

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

Density: 1.5±0.1 g/cm3
Boiling Point: 838.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.6±6.0 kJ/mol
Flash Point: 272.9±27.8 °C
Index of Refraction: 1.655
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.28
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.28
Polar Surface Area: 207 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 384.7±5.0 cm3

Click to predict properties on the Chemicalize site


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