ChemSpider 2D Image | (-)-(R)-4''-Hydroxyyashabushiketol | C19H20O3

(-)-(R)-4''-Hydroxyyashabushiketol

  • Molecular FormulaC19H20O3
  • Average mass296.360 Da
  • Monoisotopic mass296.141235 Da
  • ChemSpider ID28289263

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(-)-(R)-4''-Hydroxyyashabushiketol
(1E,5R)-5-Hydroxy-1-(4-hydroxyphenyl)-7-phenyl-1-hepten-3-on [German] [ACD/IUPAC Name]
(1E,5R)-5-Hydroxy-1-(4-hydroxyphenyl)-7-phenyl-1-hepten-3-one [ACD/IUPAC Name]
(1E,5R)-5-Hydroxy-1-(4-hydroxyphényl)-7-phényl-1-heptén-3-one [French] [ACD/IUPAC Name]
1-Hepten-3-one, 5-hydroxy-1-(4-hydroxyphenyl)-7-phenyl-, (1E,5R)- [ACD/Index Name]
()-(R)-4''-hydroxyyashabushiketol
(3R)-3-hydroxy-1-phenyl-7-(4-hydroxyphenyl)-6E-hepten-5-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 523.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 284.4±26.6 °C
Index of Refraction: 1.625
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.30
ACD/KOC (pH 5.5): 1216.34
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 142.57
ACD/KOC (pH 7.4): 1210.09
Polar Surface Area: 58 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 250.6±3.0 cm3

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