ChemSpider 2D Image | 4-{(1S,2R)-1,3-Dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenyl beta-D-glucopyranoside | C25H34O13

4-{(1S,2R)-1,3-Dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC25H34O13
  • Average mass542.530 Da
  • Monoisotopic mass542.199951 Da
  • ChemSpider ID8825513

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

4-{(1S,2R)-1,3-Dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{(1S,2R)-1,3-Dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl}-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-{(1S,2R)-1,3-dihydroxy-2-[4-(hydroxyméthyl)-2,6-diméthoxyphénoxy]propyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1S,2R)-1,3-dihydroxy-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenyl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 844.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 464.7±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 197 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

Click to predict properties on the Chemicalize site


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