ChemSpider 2D Image | 3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-threo-hexopyranoside | C21H20O12

3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranoside

  • Molecular FormulaC21H20O12
  • Average mass464.376 Da
  • Monoisotopic mass464.095490 Da
  • ChemSpider ID24845660

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-threo-hexopyranosyloxy)-3,5,8-trihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
β-D-thréo-Hexopyranoside de 3,5,8-trihydroxy-2-(4-hydroxyphényl)-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: 1.8±0.1 g/cm3
Boiling Point: 861.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±3.0 kJ/mol
Flash Point: 303.5±27.8 °C
Index of Refraction: 1.775
Molar Refractivity: 107.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.65
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 116.1±3.0 dyne/cm
Molar Volume: 256.6±3.0 cm3

Click to predict properties on the Chemicalize site


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