ChemSpider 2D Image | 4-{[(3S,4S)-4-(4-Hydroxy-3-methoxybenzyl)-5-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl beta-D-glucopyranoside | C26H32O11

4-{[(3S,4S)-4-(4-Hydroxy-3-methoxybenzyl)-5-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC26H32O11
  • Average mass520.526 Da
  • Monoisotopic mass520.194458 Da
  • ChemSpider ID9355024

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2(3H)-Furanone, 4-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)- [ACD/Index Name]
4-{[(3S,4S)-4-(4-Hydroxy-3-methoxybenzyl)-5-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{[(3S,4S)-4-(4-Hydroxy-3-methoxybenzyl)-5-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-{[(3S,4S)-4-(4-hydroxy-3-méthoxybenzyl)-5-oxotétrahydro-3-furanyl]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519055/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 781.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 261.8±26.4 °C
Index of Refraction: 1.625
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.42
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.37
Polar Surface Area: 164 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 366.4±3.0 cm3

Click to predict properties on the Chemicalize site


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