ChemSpider 2D Image | 1,5-Anhydro-3-O-(3,4,5-trihydroxybenzoyl)-D-glucitol | C13H16O9

1,5-Anhydro-3-O-(3,4,5-trihydroxybenzoyl)-D-glucitol

  • Molecular FormulaC13H16O9
  • Average mass316.261 Da
  • Monoisotopic mass316.079437 Da
  • ChemSpider ID28492749

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,5-Anhydro-3-O-(3,4,5-trihydroxybenzoyl)-D-glucitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-O-(3,4,5-trihydroxybenzoyl)-D-glucitol [ACD/IUPAC Name]
1,5-Anhydro-3-O-(3,4,5-trihydroxybenzoyl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-, 3-(3,4,5-trihydroxybenzoate) [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: 706.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 269.3±26.4 °C
Index of Refraction: 1.696
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.12
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.90
Polar Surface Area: 157 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 110.8±5.0 dyne/cm
Molar Volume: 181.5±5.0 cm3

Click to predict properties on the Chemicalize site


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