ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl beta-D-threo-hexopyranoside | C22H22O13

2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl β-D-threo-hexopyranoside

  • Molecular FormulaC22H22O13
  • Average mass494.402 Da
  • Monoisotopic mass494.106049 Da
  • ChemSpider ID24845706

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(β-D-threo-hexopyranosyloxy)-5,8-dihydroxy-7-methoxy- [ACD/Index Name]
β-D-thréo-Hexopyranoside de 2-(3,4-dihydroxyphényl)-5,8-dihydroxy-7-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 908.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 315.5±27.8 °C
Index of Refraction: 1.776
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.67
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.89
Polar Surface Area: 216 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 126.3±5.0 dyne/cm
Molar Volume: 268.8±5.0 cm3

Click to predict properties on the Chemicalize site


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