ChemSpider 2D Image | 6-Acetoxy-3,8,12,14-tetrahydroxybufa-4,20,22-trienolide | C26H34O8

6-Acetoxy-3,8,12,14-tetrahydroxybufa-4,20,22-trienolide

  • Molecular FormulaC26H34O8
  • Average mass474.543 Da
  • Monoisotopic mass474.225372 Da
  • ChemSpider ID20057588

More details:






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

6-Acetoxy-3,8,12,14-tetrahydroxybufa-4,20,22-trienolid [German] [ACD/IUPAC Name]
6-Acetoxy-3,8,12,14-tetrahydroxybufa-4,20,22-trienolide [ACD/IUPAC Name]
6-Acétoxy-3,8,12,14-tétrahydroxybufa-4,20,22-triénolide [French] [ACD/IUPAC Name]
Acetic acid 3,8,12,14-tetrahydroxy-10,13-dimethyl-17-(6-oxo-6H-pyran-3-yl)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl ester
Bufa-4,20,22-trienolide, 6-(acetyloxy)-3,8,12,14-tetrahydroxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 656.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±6.0 kJ/mol
Flash Point: 219.5±25.0 °C
Index of Refraction: 1.632
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.77
ACD/KOC (pH 5.5): 72.11
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.77
ACD/KOC (pH 7.4): 72.11
Polar Surface Area: 134 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 340.0±5.0 cm3

Click to predict properties on the Chemicalize site






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