Leucovorin
Representations & DB's id
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| ChEBI: | CHEBI:15640 | |
|---|---|---|
| ChEMBL: | CHEMBL1679 | |
| PubChem: | 6006 | |
| IUPAC: | (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | |
| Standard InChI: | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1 | |
| Standard InChI Key: | VVIAGPKUTFNRDU-ABLWVSNPSA-N | |
| SMILES: | O=CN1C(CNc2ccc(cc2)C(=O)N[C@H](C(=O)O)CCC(=O)O)CNc2c1c(O)nc(=N)[nH]2 | |
Molecular propeties
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| AlogP: | -0.73 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 3 | |
| Molecular Weight: | 473.17 | |
| Topological polar surface area: | 216 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |