ChemSpider 2D Image | 2-[3-(beta-D-threo-Hexopyranosyloxy)-4-hydroxyphenyl]-3,5-dihydroxy-4-oxo-4H-chromen-7-yl acetate | C23H22O13

2-[3-(β-D-threo-Hexopyranosyloxy)-4-hydroxyphenyl]-3,5-dihydroxy-4-oxo-4H-chromen-7-yl acetate

  • Molecular FormulaC23H22O13
  • Average mass506.413 Da
  • Monoisotopic mass506.106049 Da
  • ChemSpider ID24844944

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-[3-(β-D-threo-Hexopyranosyloxy)-4-hydroxyphenyl]-3,5-dihydroxy-4-oxo-4H-chromen-7-yl acetate [ACD/IUPAC Name]
2-[3-(β-D-threo-Hexopyranosyloxy)-4-hydroxyphenyl]-3,5-dihydroxy-4-oxo-4H-chromen-7-yl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(acetyloxy)-2-[3-(β-D-threo-hexopyranosyloxy)-4-hydroxyphenyl]-3,5-dihydroxy- [ACD/Index Name]
Acétate de 2-[3-(β-D-thréo-hexopyranosyloxy)-4-hydroxyphényl]-3,5-dihydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 835.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 288.4±27.8 °C
Index of Refraction: 1.718
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.66
ACD/LogD (pH 7.4): -2.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 98.1±3.0 dyne/cm
Molar Volume: 295.8±3.0 cm3

Click to predict properties on the Chemicalize site


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