ChemSpider 2D Image | 2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 2-O-acetyl-beta-D-glucopyranoside | C26H28O10

2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 2-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC26H28O10
  • Average mass500.495 Da
  • Monoisotopic mass500.168243 Da
  • ChemSpider ID8943013

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2-[(2-O-acetyl-β-D-glucopyranosyl)oxy]-6-hydroxy-4-methylphenyl]-3-(5-benzofuranyl)- [ACD/Index Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl 2-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-[3-(1-Benzofuran-5-yl)propanoyl]-3-hydroxy-5-methylphenyl-2-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-β-D-glucopyranoside de 2-[3-(1-benzofuran-5-yl)propanoyl]-3-hydroxy-5-méthylphényle [French] [ACD/IUPAC 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: 719.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.6±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.59
ACD/KOC (pH 5.5): 1122.15
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 69.85
ACD/KOC (pH 7.4): 609.58
Polar Surface Area: 156 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 345.1±5.0 cm3

Click to predict properties on the Chemicalize site


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