ChemSpider 2D Image | {(2R)-7-Hydroxy-2-[(2S)-2-hydroxypropyl]-8-methoxy-4-oxo-3,4-dihydro-2H-chromen-5-yl}acetic acid | C15H18O7

{(2R)-7-Hydroxy-2-[(2S)-2-hydroxypropyl]-8-methoxy-4-oxo-3,4-dihydro-2H-chromen-5-yl}acetic acid

  • Molecular FormulaC15H18O7
  • Average mass310.299 Da
  • Monoisotopic mass310.105255 Da
  • ChemSpider ID35516674

  • 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]-8-methoxy-4-oxo-3,4-dihydro-2H-chromen-5-yl}acetic acid [ACD/IUPAC Name]
{(2R)-7-Hydroxy-2-[(2S)-2-hydroxypropyl]-8-methoxy-4-oxo-3,4-dihydro-2H-chromen-5-yl}essigsäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-7-hydroxy-2-[(2S)-2-hydroxypropyl]-8-methoxy-4-oxo-, (2R)- [ACD/Index Name]
Acide {(2R)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-8-méthoxy-4-oxo-3,4-dihydro-2H-chromén-5-yl}acétique [French] [ACD/IUPAC Name]
Corynechromone G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 229.2±25.0 °C
Index of Refraction: 1.582
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.51
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 225.6±3.0 cm3

Click to predict properties on the Chemicalize site


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