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Search term: 21615480 (Found by CSID)
ChemSpider 2D Image | 4-[(2R,3R)-4-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-2-(hydroxymethyl)butyl]-2-methoxyphenyl beta-D-glucopyranoside | C26H36O11

4-[(2R,3R)-4-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-2-(hydroxymethyl)butyl]-2-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC26H36O11
  • Average mass524.557 Da
  • Monoisotopic mass524.225769 Da
  • ChemSpider ID21615480

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

4-[(2R,3R)-4-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-2-(hydroxymethyl)butyl]-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2R,3R)-4-Hydroxy-3-(4-hydroxy-3-methoxybenzyl)-2-(hydroxymethyl)butyl]-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-[(2R,3R)-4-hydroxy-3-(4-hydroxy-3-méthoxybenzyl)-2-(hydroxyméthyl)butyl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(2R,3R)-4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butyl]-2-methoxyphenyl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 808.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 443.0±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.70
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.67
Polar Surface Area: 179 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 378.3±3.0 cm3

Click to predict properties on the Chemicalize site


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