ChemSpider 2D Image | [(2S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl beta-D-xylopyranoside | C26H34O11

[(2S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl β-D-xylopyranoside

  • Molecular FormulaC26H34O11
  • Average mass522.542 Da
  • Monoisotopic mass522.210083 Da
  • ChemSpider ID10142534

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

[(2S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalenyl]methyl β-D-xylopyranoside [ACD/IUPAC Name]
[(2S)-7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthalinyl]methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de [(2S)-7-hydroxy-1-(4-hydroxy-3,5-diméthoxyphényl)-3-(hydroxyméthyl)-6-méthoxy-1,2,3,4-tétrahydro-2-naphtalényl]méthyle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, [(2S)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-2-naphthalenyl]methyl [ACD/Index Name]
(-)-5'-Methoxyisolariciresinol-2a-O-β-D-xylopyranoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 743.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.7±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 37.79
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 37.66
Polar Surface Area: 168 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

Click to predict properties on the Chemicalize site


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