ChemSpider 2D Image | 1,5-Anhydro-3,6-bis-O-(3,4,5-trihydroxybenzoyl)-D-glucitol | C20H20O13

1,5-Anhydro-3,6-bis-O-(3,4,5-trihydroxybenzoyl)-D-glucitol

  • Molecular FormulaC20H20O13
  • Average mass468.365 Da
  • Monoisotopic mass468.090393 Da
  • ChemSpider ID28488517

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,5-Anhydro-3,6-bis-O-(3,4,5-trihydroxybenzoyl)-D-glucitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3,6-bis-O-(3,4,5-trihydroxybenzoyl)-D-glucitol [ACD/IUPAC Name]
1,5-Anhydro-3,6-bis-O-(3,4,5-trihydroxybenzoyl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-, 3,6-bis(3,4,5-trihydroxybenzoate) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 898.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 315.7±27.8 °C
Index of Refraction: 1.761
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.61
ACD/KOC (pH 5.5): 103.50
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 47.97
Polar Surface Area: 224 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 132.6±5.0 dyne/cm
Molar Volume: 252.6±5.0 cm3

Click to predict properties on the Chemicalize site


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