ChemSpider 2D Image | 2-Acetyl-3-[(6,8-dihydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)methyl]-5-hydroxyphenyl beta-L-glucopyranoside | C24H26O12

2-Acetyl-3-[(6,8-dihydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)methyl]-5-hydroxyphenyl β-L-glucopyranoside

  • Molecular FormulaC24H26O12
  • Average mass506.456 Da
  • Monoisotopic mass506.142426 Da
  • ChemSpider ID8499378

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1H-2-Benzopyran-1-one, 3-[[2-acetyl-3-(β-L-glucopyranosyloxy)-5-hydroxyphenyl]methyl]-3,4-dihydro-6,8-dihydroxy- [ACD/Index Name]
2-Acetyl-3-[(6,8-dihydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)methyl]-5-hydroxyphenyl β-L-glucopyranoside [ACD/IUPAC Name]
2-Acetyl-3-[(6,8-dihydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)methyl]-5-hydroxyphenyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
β-L-Glucopyranoside de 2-acétyl-3-[(6,8-dihydroxy-1-oxo-3,4-dihydro-1H-isochromén-3-yl)méthyl]-5-hydroxyphényle [French] [ACD/IUPAC 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: 937.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.9±3.0 kJ/mol
Flash Point: 320.7±27.8 °C
Index of Refraction: 1.689
Molar Refractivity: 120.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.63
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.87
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.08
Polar Surface Area: 203 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 87.6±3.0 dyne/cm
Molar Volume: 316.0±3.0 cm3

Click to predict properties on the Chemicalize site


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