Aspartic acid, N-(p-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-

Base Information

• Chemical Name: Aspartic acid, N-(p-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-
• CAS No.: 82144-21-6
• Molecular Formula: C19H20N8O5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50231584
• Nikkaji Number: J62.329F
• Wikidata: Q76156642
• Mol file: 82144-21-6.mol

Synonyms:Aspartic acid, N-(p-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-;82144-21-6;N-(p-(((2,4-Diamino-7-pteridinyl)methyl)methylamino)benzoyl)aspartic acid;N-(4-(((2,4-Diamino-7-pteridinyl)methyl)methylamino)benzoyl)-L-aspartic acid;L-Aspartic acid, N-(4-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-;7-MAB-Asp;DTXSID50231584;LS-22095

Chemical Property of Aspartic acid, N-(p-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-

Chemical Property:

• PSA: 211.27000
• Density: 1.577g/cm³
• LogP: 0.78050
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 440.15566577
• Heavy Atom Count: 32
• Complexity: 689

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CC1=CN=C2C(=NC(=NC2=N1)N)N)C3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O
• Isomeric SMILES: CN(CC1=CN=C2C(=NC(=NC2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CC(=O)O)C(=O)O