(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

Base Information

• Chemical Name: (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
• CAS No.: 7444-29-3
• Molecular Formula: C20H23N7O7
• Molecular Weight: 473.44
• Mol file: 7444-29-3.mol

Synonyms:(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

Chemical Property of (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

Chemical Property:

• PSA: 193.75000
• LogP: 0.52040
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 455.15533142
• Heavy Atom Count: 33
• Complexity: 945

Purity/Quality:

99% ^*data from raw suppliers

10-FORMYLTETRAHYDROPTEROYLGLUTAMIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C=NC3=[N+]=C(NC(=O)C3N2CN1C4=CC=C(C=C4)C(=O)NC(CCC(=O)[O-])C(=O)O)N
• Isomeric 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
• Uses: Methenyltetrahydrofolic Acid is a major folate in the rats.