ChemSpider 2D Image | Isobutyl {(2R)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-4-oxo-3,4-dihydro-2H-chromen-5-yl}acetate | C18H24O6

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

  • Molecular FormulaC18H24O6
  • Average mass336.380 Da
  • Monoisotopic mass336.157288 Da
  • ChemSpider ID35516670

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 184.7±23.6 °C
Index of Refraction: 1.543
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.31
ACD/KOC (pH 5.5): 621.55
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 32.21
ACD/KOC (pH 7.4): 355.58
Polar Surface Area: 93 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 276.9±3.0 cm3

Click to predict properties on the Chemicalize site


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