ChemSpider 2D Image | desacetylcinobufotalin | C24H32O6

desacetylcinobufotalin

  • Molecular FormulaC24H32O6
  • Average mass416.507 Da
  • Monoisotopic mass416.219879 Da
  • ChemSpider ID23340070

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5β,15β,16β)-3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3β,5β,15β,16β)-3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide [ACD/IUPAC Name]
(3β,5β,15β,16β)-3,5,16-Trihydroxy-14,15-époxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
4099-30-3 [RN]
Bufa-20,22-dienolide, 14,15-epoxy-3,5,16-trihydroxy-, (3β,5β,15β,16β)- [ACD/Index Name]
desacetylcinobufotalin
1,2-dimethyl-3-prop-1-en-2-ylcyclopentan-1-ol
3β,5β,16β-trihydroxy-14β,15β-epoxy-bufa-20,22-dienolide
5-((1R,2R,2aR,3aS,3bR,5aS,7S,9aR,9bS,11aR)-2,5a,7-trihydroxy-9a,11a-dimethylhexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-1-yl)-2H-pyran-2-one
Deacetylcinobufotalin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 636.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±6.0 kJ/mol
Flash Point: 220.4±25.0 °C
Index of Refraction: 1.638
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.33
ACD/KOC (pH 5.5): 99.32
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.33
ACD/KOC (pH 7.4): 99.32
Polar Surface Area: 100 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 302.4±5.0 cm3

Click to predict properties on the Chemicalize site


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