ChemSpider 2D Image | [(3S)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-5-yl]methyl beta-L-talopyranoside | C17H22O9

[(3S)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-5-yl]methyl β-L-talopyranoside

  • Molecular FormulaC17H22O9
  • Average mass370.351 Da
  • Monoisotopic mass370.126373 Da
  • ChemSpider ID62564455

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(3S)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-5-yl]methyl β-L-talopyranoside [ACD/IUPAC Name]
[(3S)-8-Hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-5-yl]methyl-β-L-talopyranosid [German] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-methyl-5-[(β-L-talopyranosyloxy)methyl]-, (3S)- [ACD/Index Name]
β-L-Talopyranoside de [(3S)-8-hydroxy-3-méthyl-1-oxo-3,4-dihydro-1H-isochromén-5-yl]méthyle [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: 698.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 255.5±25.0 °C
Index of Refraction: 1.649
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.08
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.28
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.11
Polar Surface Area: 146 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 84.1±5.0 dyne/cm
Molar Volume: 237.5±5.0 cm3

Click to predict properties on the Chemicalize site


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