ICI D1694(aq)
Cannot estimate ΔfG' with any level of certainty
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General Properties
Formula C21H22N4O6S
Common names ICI D1694; Raltitrexed; Tomudex; ZD1694; C11372
Molar Mass 458.13 [Da]
Structure
Links KEGG »
Species Formation Energies
Phase Net charge #Hydrogens Δf [kJ/mol] ΔfG'° [kJ/mol] Reference
aqueous -3 19 -488.3 276.6 Component Contribution (2013)
aqueous -2 20 -561.5 247.0
aqueous -1 21 -586.8 264.0
aqueous 0 22 -608.1 284.0
aqueous 1 23 -614.6 317.3