anhydroleucovorin structure

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

CAS: 7444-29-3
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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