ChemSpider 2D Image | (2Z)-2-(3,4-Dihydroxybenzylidene)-7-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl beta-D-threo-hexopyranoside | C21H20O11

(2Z)-2-(3,4-Dihydroxybenzylidene)-7-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl β-D-threo-hexopyranoside

  • Molecular FormulaC21H20O11
  • Average mass448.377 Da
  • Monoisotopic mass448.100555 Da
  • ChemSpider ID24846155

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2Z)-2-(3,4-Dihydroxybenzyliden)-7-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
(2Z)-2-(3,4-Dihydroxybenzylidene)-7-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yl β-D-threo-hexopyranoside [ACD/IUPAC Name]
3(2H)-Benzofuranone, 2-[(3,4-dihydroxyphenyl)methylene]-6-(β-D-threo-hexopyranosyloxy)-7-hydroxy-, (2Z)- [ACD/Index Name]
β-D-thréo-Hexopyranoside de (2Z)-2-(3,4-dihydroxybenzylidène)-7-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 824.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 292.2±27.8 °C
Index of Refraction: 1.780
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.84
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.45
Polar Surface Area: 186 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 109.6±3.0 dyne/cm
Molar Volume: 256.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement