ChemSpider 2D Image | (2S)-2,6-Dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yl beta-D-glucopyranoside | C21H22O11

(2S)-2,6-Dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yl β-D-glucopyranoside

  • Molecular FormulaC21H22O11
  • Average mass450.393 Da
  • Monoisotopic mass450.116211 Da
  • ChemSpider ID62573837

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2,6-Dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2,6-Dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3(2H)-Benzofuranone, 4-(β-D-glucopyranosyloxy)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-, (2S)- [ACD/Index Name]
β-D-Glucopyranoside de (2S)-2,6-dihydroxy-2-(4-hydroxybenzyl)-3-oxo-2,3-dihydro-1-benzofuran-4-yle [French] [ACD/IUPAC 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: 858.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 303.0±27.8 °C
Index of Refraction: 1.734
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.49
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.23
Polar Surface Area: 186 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 104.6±3.0 dyne/cm
Molar Volume: 263.7±3.0 cm3

Click to predict properties on the Chemicalize site


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