anhydroleucovorin
(4S)-4-[[4-[(6aS)-3-amino-1-oxo-6a,7,9,10a-tetrahydro-2H-imidazo[1,5-f]pteridin-4-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate
Also Known As: anhydroleucovorin|5,10-methenyltetrahydrofolate|N5,N10-Methenyl tetrahydrofolate|5,10-Methenyltetrahydropteroylglutamate|(4S)-4-[[4-[(6aS)-3-amino-1-oxo-6a,7,9,10a-tetrahydro-2H-imidazo[1,5-f]pteridin-4-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate|Imidazo(1,5-f)pteridinium, 3-amino-8-(4-(((1,3-dicarboxypropyl)amino)carbonyl)phenyl)-1,2,5,6,6a,7-hexahydro-1-oxo-, inner salt
| Molecular Formula | C20H21N7O6 |
|---|---|
| Molecular Weight | 455.15533 g/mol |
| LogP | -3.789 |
| Topological Polar Surface Area | 194.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.15533 |
| Monoisotopic Mass | 455.15533 |
| Heavy Atoms | 33 |
| Complexity | 1108.4052 |
Chemical Identifiers
| CAS Number | 7444-29-3 |
|---|---|
| SMILES | C1[C@H]2C=NC3=[N+]=C(NC(=O)C3N2CN1C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)[O-])C(=O)O)N |
Product Overview
anhydroleucovorin (CAS 7444-29-3), with molecular formula C20H21N7O6 and molecular weight 455.15533 g/mol. IUPAC: (4S)-4-[[4-[(6aS)-3-amino-1-oxo-6a,7,9,10a-tetrahydro-2H-imidazo[1,5-f]pteridin-4-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate.
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