ChemSpider 2D Image | 4-[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenyl beta-D-glucopyranoside | C28H38O13

4-[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC28H38O13
  • Average mass582.594 Da
  • Monoisotopic mass582.231262 Da
  • ChemSpider ID28425527
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

4-[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-[(2S,3R,4R)-4-(4-hydroxy-3,5-diméthoxybenzyl)-3-(hydroxyméthyl)tétrahydro-2-furanyl]-2,6-diméthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2,6-dimethoxy-4-[(2S,3R,4R)-tetrahydro-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]phenyl [ACD/Index Name]
[154418-16-3]
154418-16-3 [RN]
5,5'-Dimethoxylariciresinol 4-O-glucoside
MFCD20275046

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

Density: 1.4±0.1 g/cm3
Boiling Point: 790.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 432.0±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 144.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.36
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.34
Polar Surface Area: 186 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 422.3±3.0 cm3

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