ChemSpider 2D Image | 4-[(2S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenyl beta-D-glucopyranoside | C27H36O12

4-[(2S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC27H36O12
  • Average mass552.568 Da
  • Monoisotopic mass552.220703 Da
  • ChemSpider ID28286288
  • defined stereocentres - 6 of 8 defined stereocentres


More details:



Featured data source



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

4-[(2S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-[(2S)-4-(4-hydroxy-3-méthoxybenzyl)-3-(hydroxyméthyl)tétrahydro-2-furanyl]-2,6-diméthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2,6-dimethoxy-4-[(2S)-tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]phenyl [ACD/Index Name]
5-methoxylariciresinol-4-O-b-D-glucopyranoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 773.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.4±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.88
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.85
Polar Surface Area: 177 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 398.3±3.0 cm3

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