Methotrexate(aq)
Cannot estimate ΔfG' with any level of certainty
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General Properties
Formula C20H22N8O5
Common names Methotrexate; C01937
Molar Mass 454.17 [Da]
Structure
Links KEGG »
Species Formation Energies
Phase Net charge #Hydrogens Δf [kJ/mol] ΔfG'° [kJ/mol] Reference
aqueous -4 18 -149.0 571.1 Component Contribution (2013)
aqueous -3 19 -198.7 566.2
aqueous -2 20 -243.6 564.9
aqueous -1 21 -267.1 583.8
aqueous 0 22 -285.6 606.4
aqueous 1 23 -286.1 645.9