methotrexate
C20H22N8O5
Methotrexate has the molecular formula C20H22N8O5 and a molar mass of 454.4 g/mol.
Properties
| Molecular formula | C20H22N8O5 |
|---|---|
| Molar mass | 454.4 g/mol |
| Exact (monoisotopic) mass | 454.17132 g/mol |
| logP (octanol–water) | -1.8 |
| Topological polar surface area | 211 Ų |
| Hydrogen-bond donors / acceptors | 5 / 12 |
| Heavy atoms | 33 |
| InChIKey | FBOZXECLQNJBKD-ZDUSSCGKSA-N |
| IUPAC name | (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid |
Elemental composition
55 atoms across 4 elements, by mass.
| Element | Atoms | Percent by mass |
|---|---|---|
| Carbon (C) | 20 | 52.86% |
| Nitrogen (N) | 8 | 24.66% |
| Oxygen (O) | 5 | 17.60% |
| Hydrogen (H) | 22 | 4.88% |
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Related compounds
Molar mass and elemental composition are computed from IUPAC 2021 conventional atomic weights. Formula, exact mass and the computed descriptors come from PubChem, which is US government work and in the public domain. Melting point, boiling point and density come from Wikidata under CC0. Properties with no figure shown are absent from those sources rather than zero.