ChemSpider 2D Image | [(2S,3S)-2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl beta-D-glucopyranoside | C26H34O11

[(2S,3S)-2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl β-D-glucopyranoside

  • Molecular FormulaC26H34O11
  • Average mass522.542 Da
  • Monoisotopic mass522.210083 Da
  • ChemSpider ID31127938

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(2S,3S)-2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl β-D-glucopyranoside [ACD/IUPAC Name]
[(2S,3S)-2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de [(2S,3S)-2-(4-hydroxy-3-méthoxyphényl)-5-(3-hydroxypropyl)-7-méthoxy-2,3-dihydro-1-benzofuran-3-yl]méthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, [(2S,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofuranyl]methyl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 397.4±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.88
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.82
Polar Surface Area: 168 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 356.5±5.0 cm3

Click to predict properties on the Chemicalize site


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