ChemSpider 2D Image | 1,5-Anhydro-1-[7-(hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol | C27H30O15

1,5-Anhydro-1-[7-(hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol

  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID3826742

More details:

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

1,5-Anhydro-1-[7-(hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-[7-(hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-[7-(hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yl]hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,5-anhydro-1-C-[7-(hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]- [ACD/Index 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: 919.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.1±3.0 kJ/mol
Flash Point: 305.4±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.17
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 256 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 103.8±3.0 dyne/cm
Molar Volume: 345.0±3.0 cm3

Click to predict properties on the Chemicalize site


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