ChemSpider 2D Image | (2S)-5-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-7-chromanolate | C20H19O5

(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-7-chromanolate

  • Molecular FormulaC20H19O5
  • Average mass339.362 Da
  • Monoisotopic mass339.123810 Da
  • ChemSpider ID26331376

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-7-chromanolat [German] [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-7-chromanolate [ACD/IUPAC Name]
(2S)-5-Hydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-7-chromanolate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-, ion(1-), (2S)- [ACD/Index Name]
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-olate
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxochroman-7-olate
Sophoraflavanone B
sophoraflavanone B anion
sophoraflavanone B(1-)
  • Miscellaneous

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

Density:
Boiling Point: 597.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 216.4±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 699.29
ACD/KOC (pH 5.5): 3773.07
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 406.32
ACD/KOC (pH 7.4): 2192.29
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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