ChemSpider 2D Image | 6-Hydroxy-3-[(2S)-2-hydroxypropyl]-8-methoxy-7-methyl-1H-isochromen-1-one | C14H16O5

6-Hydroxy-3-[(2S)-2-hydroxypropyl]-8-methoxy-7-methyl-1H-isochromen-1-one

  • Molecular FormulaC14H16O5
  • Average mass264.274 Da
  • Monoisotopic mass264.099762 Da
  • ChemSpider ID35516795

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-2-Benzopyran-1-one, 6-hydroxy-3-[(2S)-2-hydroxypropyl]-8-methoxy-7-methyl- [ACD/Index Name]
6-Hydroxy-3-[(2S)-2-hydroxypropyl]-8-methoxy-7-methyl-1H-isochromen-1-on [German] [ACD/IUPAC Name]
6-Hydroxy-3-[(2S)-2-hydroxypropyl]-8-methoxy-7-methyl-1H-isochromen-1-one [ACD/IUPAC Name]
6-Hydroxy-3-[(2S)-2-hydroxypropyl]-8-méthoxy-7-méthyl-1H-isochromén-1-one [French] [ACD/IUPAC Name]
Pestalotiorin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 488.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 186.7±22.2 °C
Index of Refraction: 1.581
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.87
ACD/KOC (pH 5.5): 477.27
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 27.36
ACD/KOC (pH 7.4): 335.97
Polar Surface Area: 76 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 205.8±3.0 cm3

Click to predict properties on the Chemicalize site


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