ChemSpider 2D Image | [(2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl 3-O-acetyl-D-xylopyranoside | C27H34O11

[(2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl 3-O-acetyl-D-xylopyranoside

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID28288630

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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[(2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl 3-O-acetyl-D-xylopyranoside [ACD/IUPAC Name]
[(2S,3R)-2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl-3-O-acetyl-D-xylopyranosid [German] [ACD/IUPAC Name]
3-O-Acétyl-D-xylopyranoside de [(2S,3R)-2-(4-hydroxy-3-méthoxyphényl)-5-(3-hydroxypropyl)-7-méthoxy-2,3-dihydro-1-benzofuran-3-yl]méthyle [French] [ACD/IUPAC Name]
D-Xylopyranoside, [(2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofuranyl]methyl, 3-acetate [ACD/Index Name]
dihydrodehydrodiconiferyl alcohol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 229.2±25.0 °C
Index of Refraction: 1.619
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 88.79
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 88.45
Polar Surface Area: 153 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 380.2±5.0 cm3

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