ChemSpider 2D Image | 2,3-Dihydroxy-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl hexopyranoside | C26H34O13

2,3-Dihydroxy-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl hexopyranoside

  • Molecular FormulaC26H34O13
  • Average mass554.540 Da
  • Monoisotopic mass554.199951 Da
  • ChemSpider ID24617151

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2,3-Dihydroxy-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl hexopyranoside [ACD/IUPAC Name]
2,3-Dihydroxy-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propylhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside de 2,3-dihydroxy-3-[2-(4-hydroxy-3-méthoxyphényl)-3-(hydroxyméthyl)-7-méthoxy-2,3-dihydro-1-benzofuran-5-yl]propyle [French] [ACD/IUPAC Name]
Hexopyranoside, 3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-2,3-dihydroxypropyl [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 860.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±3.0 kJ/mol
Flash Point: 474.4±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.23
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 208 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 91.8±5.0 dyne/cm
Molar Volume: 352.1±5.0 cm3

Click to predict properties on the Chemicalize site


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