ChemSpider 2D Image | 6-Methoxy-5,7-dimethyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl 6-O-acetyl-beta-D-glucopyranoside | C19H24O10

6-Methoxy-5,7-dimethyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl 6-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC19H24O10
  • Average mass412.388 Da
  • Monoisotopic mass412.136932 Da
  • ChemSpider ID44210896

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1(3H)-Isobenzofuranone, 7-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-5-methoxy-4,6-dimethyl- [ACD/Index Name]
6-Methoxy-5,7-dimethyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl 6-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
6-Methoxy-5,7-dimethyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl-6-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-glucopyranoside de 6-méthoxy-5,7-diméthyl-3-oxo-1,3-dihydro-2-benzofuran-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 695.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 247.8±25.0 °C
Index of Refraction: 1.588
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 58.47
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 58.47
Polar Surface Area: 141 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 288.7±3.0 cm3

Click to predict properties on the Chemicalize site


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