ChemSpider 2D Image | 5-{(2R)-3-[(2-Carboxy-4-oxo-4H-chromen-6-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid | C23H16O11

5-{(2R)-3-[(2-Carboxy-4-oxo-4H-chromen-6-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid

  • Molecular FormulaC23H16O11
  • Average mass468.366 Da
  • Monoisotopic mass468.069275 Da
  • ChemSpider ID107450547

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4H-1-Benzopyran-2-carboxylic acid, 5-[(2R)-3-[(2-carboxy-4-oxo-4H-1-benzopyran-6-yl)oxy]-2-hydroxypropoxy]-4-oxo- [ACD/Index Name]
5-{(2R)-3-[(2-Carboxy-4-oxo-4H-chromen-6-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromen-2-carbonsäure [German] [ACD/IUPAC Name]
5-{(2R)-3-[(2-Carboxy-4-oxo-4H-chromen-6-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-{(2R)-3-[(2-carboxy-4-oxo-4H-chromén-6-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromène-2-carboxylique [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: 751.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 263.5±26.4 °C
Index of Refraction: 1.681
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 83.0±3.0 dyne/cm
Molar Volume: 288.5±3.0 cm3

Click to predict properties on the Chemicalize site


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