ChemSpider 2D Image | 2-Hydroxy-3-methoxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glycero-hexopyranoside | C22H22O13

2-Hydroxy-3-methoxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glycero-hexopyranoside

  • Molecular FormulaC22H22O13
  • Average mass494.402 Da
  • Monoisotopic mass494.106049 Da
  • ChemSpider ID24845167

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

2-Hydroxy-3-methoxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glycero-hexopyranoside [ACD/IUPAC Name]
2-Hydroxy-3-methoxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl-β-D-glycero-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-(β-D-glycero-hexopyranosyloxy)-4-hydroxy-5-methoxyphenyl]-3,5,7-trihydroxy- [ACD/Index Name]
β-D-glycéro-Hexopyranoside de 2-hydroxy-3-méthoxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromén-2-yl)phényle [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: 848.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 295.1±27.8 °C
Index of Refraction: 1.746
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.23
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 106.3±3.0 dyne/cm
Molar Volume: 280.6±3.0 cm3

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