ChemSpider 2D Image | (8S)-5-Hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one | C20H18O5

(8S)-5-Hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one

  • Molecular FormulaC20H18O5
  • Average mass338.354 Da
  • Monoisotopic mass338.115417 Da
  • ChemSpider ID24691817

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8S)-5-Hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-on [German] [ACD/IUPAC Name]
(8S)-5-Hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one [ACD/IUPAC Name]
(8S)-5-Hydroxy-8-(2-hydroxyphényl)-2,2-diméthyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromén-6-one [French] [ACD/IUPAC Name]
2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7,8-dihydro-5-hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-, (8S)- [ACD/Index Name]
buceracidin B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462932/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 518.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 187.1±23.6 °C
Index of Refraction: 1.635
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1890.68
ACD/KOC (pH 5.5): 7674.99
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 851.47
ACD/KOC (pH 7.4): 3456.43
Polar Surface Area: 76 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 254.4±3.0 cm3

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