ChemSpider 2D Image | 4-Hydroxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzyl)oxy]methyl}tetrahydro-2-furanyl]-beta-D-glucopyranoside | C25H32O13

4-Hydroxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC25H32O13
  • Average mass540.514 Da
  • Monoisotopic mass540.184265 Da
  • ChemSpider ID24664824

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-{[(4-hydroxy-3-méthoxybenzyl)oxy]méthyl}tétrahydro-2-furanyl]-β-D-glucopyranoside de 4-hydroxyphényle [French] [ACD/IUPAC Name]
4-Hydroxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxyphenyl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-hydroxyphenyl 2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxy-3-methoxyphenyl)methoxy]methyl]-2-furanyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 824.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 452.3±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.62
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.41
Polar Surface Area: 197 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 344.9±5.0 cm3

Click to predict properties on the Chemicalize site


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