ChemSpider 2D Image | Ethyl {(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-3,4-dihydro-2H-chromen-5-yl}acetate | C16H20O6

Ethyl {(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-3,4-dihydro-2H-chromen-5-yl}acetate

  • Molecular FormulaC16H20O6
  • Average mass308.326 Da
  • Monoisotopic mass308.125977 Da
  • ChemSpider ID35516669

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2S)-7-Hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-3,4-dihydro-2H-chromén-5-yl}acétate d'éthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-, ethyl ester, (2S)- [ACD/Index Name]
Ethyl {(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-3,4-dihydro-2H-chromen-5-yl}acetate [ACD/IUPAC Name]
Ethyl-{(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-3,4-dihydro-2H-chromen-5-yl}acetat [German] [ACD/IUPAC Name]
Corynechromone B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 508.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 186.7±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.73
ACD/KOC (pH 5.5): 282.76
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 10.98
ACD/KOC (pH 7.4): 165.74
Polar Surface Area: 93 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

Click to predict properties on the Chemicalize site


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