ChemSpider 2D Image | (3beta,5beta,16beta)-16-Acetoxy-3,5,14-trihydroxybufa-20,22-dienolide | C26H36O7

(3β,5β,16β)-16-Acetoxy-3,5,14-trihydroxybufa-20,22-dienolide

  • Molecular FormulaC26H36O7
  • Average mass460.560 Da
  • Monoisotopic mass460.246094 Da
  • ChemSpider ID23340138

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5β,16β)-16-Acetoxy-3,5,14-trihydroxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-16-Acetoxy-3,5,14-trihydroxybufa-20,22-dienolide [ACD/IUPAC Name]
(3β,5β,16β)-16-Acétoxy-3,5,14-trihydroxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, 16-(acetyloxy)-3,5,14-trihydroxy-, (3β,5β,16β)- [ACD/Index Name]
(3β,5β,16β)-16-(acetyloxy)-3,5,14-trihydroxybufa-20,22-dienolide
3β,5β,14β-trihydroxy-16β-acetoxy-bufa-20,22-dienolide
5β-hydroxybufotalin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515692/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 206.8±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.54
ACD/KOC (pH 5.5): 133.47
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 7.4): 133.47
Polar Surface Area: 113 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 349.6±5.0 cm3

Click to predict properties on the Chemicalize site


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