ChemSpider 2D Image | 5,5'-{[2-(Sulfooxy)-1,3-propanediyl]bis(oxy)}bis(4-oxo-4H-chromene-2-carboxylic acid) | C23H16O14S

5,5'-{[2-(Sulfooxy)-1,3-propanediyl]bis(oxy)}bis(4-oxo-4H-chromene-2-carboxylic acid)

  • Molecular FormulaC23H16O14S
  • Average mass548.430 Da
  • Monoisotopic mass548.026062 Da
  • ChemSpider ID75706

More details:

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

4H-1-Benzopyran-2-carboxylic acid, 5,5'-[[2-(sulfooxy)-1,3-propanediyl]bis(oxy)]bis[4-oxo- [ACD/Index Name]
5,5'-{[2-(Sulfooxy)-1,3-propandiyl]bis(oxy)}bis(4-oxo-4H-chromen-2-carbonsäure) [German] [ACD/IUPAC Name]
5,5'-{[2-(Sulfooxy)-1,3-propanediyl]bis(oxy)}bis(4-oxo-4H-chromene-2-carboxylic acid) [ACD/IUPAC Name]
Acide 5,5'-{[2-(sulfooxy)-1,3-propanediyl]bis(oxy)}bis(4-oxo-4H-chromène-2-carboxylique) [French] [ACD/IUPAC Name]
107032-81-5 [RN]
4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-(sulfooxy)-1,3-propanediyl)bis(oxy))bis(4-oxo-
5,5'-((2-(Sulfooxy)propane-1,3-diyl)bis(oxy))bis(4-oxo-4H-chromene-2-carboxylic acid)
5-[3-(2-CARBOXY-4-OXO-CHROMEN-5-YL)OXY-2-SULFOOXY-PROPOXY]-4-OXO-CHROM ENE-2-CARBOXYLIC ACID
cromolyn sulfate

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -5.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 89.2±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

Click to predict properties on the Chemicalize site


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