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

2,6-Anhydro-1,5-bis-O-(3,4,5-trihydroxybenzoyl)-L-iditol

  • Molecular FormulaC20H20O13
  • Average mass468.365 Da
  • Monoisotopic mass468.090393 Da
  • ChemSpider ID127384632

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,6-Anhydro-1,5-bis-O-(3,4,5-trihydroxybenzoyl)-L-iditol [German] [ACD/IUPAC Name]
2,6-Anhydro-1,5-bis-O-(3,4,5-trihydroxybenzoyl)-L-iditol [ACD/IUPAC Name]
2,6-Anhydro-1,5-bis-O-(3,4,5-trihydroxybenzoyl)-L-iditol [French] [ACD/IUPAC Name]
L-Iditol, 2,6-anhydro-, 1,5-bis(3,4,5-trihydroxybenzoate) [ACD/Index Name]
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
76746-56-0 [RN]
Aceritannin
GINNALIN A

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: 2.39
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.16
ACD/KOC (pH 5.5): 112.25
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 51.75
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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