ChemSpider 2D Image | (1beta,3beta,5beta,11alpha,19S)-1-Acetoxy-3,5,14,19-tetrahydroxy-11,19-epoxybufa-20,22-dienolide | C26H34O9

(1β,3β,5β,11α,19S)-1-Acetoxy-3,5,14,19-tetrahydroxy-11,19-epoxybufa-20,22-dienolide

  • Molecular FormulaC26H34O9
  • Average mass490.543 Da
  • Monoisotopic mass490.220276 Da
  • ChemSpider ID24702523

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1β,3β,5β,11α,19S)-1-Acetoxy-3,5,14,19-tetrahydroxy-11,19-epoxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
(1β,3β,5β,11α,19S)-1-Acetoxy-3,5,14,19-tetrahydroxy-11,19-epoxybufa-20,22-dienolide [ACD/IUPAC Name]
(1β,3β,5β,11α,19S)-1-Acétoxy-3,5,14,19-tétrahydroxy-11,19-époxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, 1-(acetyloxy)-11,19-epoxy-3,5,14,19-tetrahydroxy-, (1β,3β,5β,11α,19S)- [ACD/Index Name]
Bryophyllin B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486882/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 236.0±26.4 °C
Index of Refraction: 1.643
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.98
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.98
Polar Surface Area: 143 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 335.3±5.0 cm3

Click to predict properties on the Chemicalize site


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