ChemSpider 2D Image | (3beta,5beta,8xi,9xi,14alpha,15alpha)-3,5-Dihydroxy-14,15-epoxybufa-20,22-dienolide | C24H32O5

(3β,5β,8ξ,9ξ,14α,15α)-3,5-Dihydroxy-14,15-epoxybufa-20,22-dienolide

  • Molecular FormulaC24H32O5
  • Average mass400.508 Da
  • Monoisotopic mass400.224976 Da
  • ChemSpider ID23223509

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,14α,15α)-3,5-Dihydroxy-14,15-epoxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,14α,15α)-3,5-Dihydroxy-14,15-epoxybufa-20,22-dienolide [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,14α,15α)-3,5-Dihydroxy-14,15-époxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, 14,15-epoxy-3,5-dihydroxy-, (3β,5β,8ξ,9ξ,14α,15α)- [ACD/Index Name]
5-(3,5-Dihydroxy-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[14,15]cyclopenta[a]phenanthren-17-yl)-pyran-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL356151/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 203.0±23.6 °C
Index of Refraction: 1.621
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.20
ACD/KOC (pH 5.5): 277.70
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.20
ACD/KOC (pH 7.4): 277.70
Polar Surface Area: 79 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 304.5±5.0 cm3

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