ChemSpider 2D Image | 4-{[(3S,4S,5R)-4-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenyl beta-D-glucopyranoside | C26H34O12

4-{[(3S,4S,5R)-4-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC26H34O12
  • Average mass538.541 Da
  • Monoisotopic mass538.205017 Da
  • ChemSpider ID9170313

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4-{[(3S,4S,5R)-4-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{[(3S,4S,5R)-4-Hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-{[(3S,4S,5R)-4-hydroxy-5-(4-hydroxy-3-méthoxyphényl)-4-(hydroxyméthyl)tétrahydro-3-furanyl]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-methoxy-4-[[(3S,4S,5R)-tetrahydro-4-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-3-furanyl]methyl]phenyl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 803.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 439.9±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.01
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.99
Polar Surface Area: 188 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 369.7±3.0 cm3

Click to predict properties on the Chemicalize site


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