ChemSpider 2D Image | Sophoraflavone A | C27H30O13

Sophoraflavone A

  • Molecular FormulaC27H30O13
  • Average mass562.519 Da
  • Monoisotopic mass562.168640 Da
  • ChemSpider ID160428

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-desoxy-α-L-mannopyranosyl)-1-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-(6-désoxy-α-L-mannopyranosyl)-1-[7-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-C-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
Sophoraflavone A
105594-08-9 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 831.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 277.3±27.8 °C
Index of Refraction: 1.731
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.78
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.48
Polar Surface Area: 216 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 104.4±5.0 dyne/cm
Molar Volume: 334.5±5.0 cm3

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