ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl alpha-D-threo-hexopyranoside | C22H22O11

5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl α-D-threo-hexopyranoside

  • Molecular FormulaC22H22O11
  • Average mass462.404 Da
  • Monoisotopic mass462.116211 Da
  • ChemSpider ID24844729

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-(α-D-threo-hexopyranosyloxy)-5,7-dihydroxy-2-(4-methoxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl α-D-threo-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl-α-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
α-D-thréo-Hexopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-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: 1.7±0.1 g/cm3
Boiling Point: 787.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 275.9±26.4 °C
Index of Refraction: 1.725
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 67.16
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.13
Polar Surface Area: 175 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 100.1±5.0 dyne/cm
Molar Volume: 275.2±5.0 cm3

Click to predict properties on the Chemicalize site


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