ChemSpider 2D Image | 1,5-Anhydro-1-(5,7-dihydroxy-4-oxo-4H-chromen-6-yl)hexitol | C15H16O9

1,5-Anhydro-1-(5,7-dihydroxy-4-oxo-4H-chromen-6-yl)hexitol

  • Molecular FormulaC15H16O9
  • Average mass340.282 Da
  • Monoisotopic mass340.079437 Da
  • ChemSpider ID22370135

More details:

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

1,5-Anhydro-1-(5,7-dihydroxy-4-oxo-4H-chromen-6-yl)hexitol [ACD/IUPAC Name]
1,5-Anhydro-1-(5,7-dihydroxy-4-oxo-4H-chromen-6-yl)hexitol [German] [ACD/IUPAC Name]
1,5-Anhydro-1-(5,7-dihydroxy-4-oxo-4H-chromén-6-yl)hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,5-anhydro-1-C-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 262.6±25.0 °C
Index of Refraction: 1.721
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.33
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 102.9±3.0 dyne/cm
Molar Volume: 195.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement