ChemSpider 2D Image | 3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C30H36O14

3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC30H36O14
  • Average mass620.598 Da
  • Monoisotopic mass620.210510 Da
  • ChemSpider ID8826873

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 3-[2-(1,3-benzodioxol-5-yl)-7-méthoxy-1-benzofuran-5-yl]propyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-5-benzofuranyl]propyl 6-O-β-D-xylopyranosyl- [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: 858.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 473.1±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.76
ACD/KOC (pH 5.5): 227.35
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.76
ACD/KOC (pH 7.4): 227.34
Polar Surface Area: 199 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 398.4±5.0 cm3

Click to predict properties on the Chemicalize site


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