L-Aspartic acid, N-[2-[6-(methylamino)-9H-purin-9-yl]acetyl]-

Base Information

• Chemical Name: L-Aspartic acid, N-[2-[6-(methylamino)-9H-purin-9-yl]acetyl]-
• CAS No.: 918334-41-5
• Molecular Formula: C12H14N6O5
• Molecular Weight: 322.27700
• DSSTox Substance ID: DTXSID80468023
• Wikidata: Q82295115

Synonyms:918334-41-5;(S)-2-(2-(6-(Methylamino)-9H-purin-9-yl)acetamido)succinic acid;L-Aspartic acid, N-[2-[6-(methylamino)-9H-purin-9-yl]acetyl]-;DTXSID80468023

Chemical Property of L-Aspartic acid, N-[2-[6-(methylamino)-9H-purin-9-yl]acetyl]-

Chemical Property:

• PSA: 162.82000
• LogP: -0.17460
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 322.10256757
• Heavy Atom Count: 23
• Complexity: 475

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C2C(=NC=N1)N(C=N2)CC(=O)NC(CC(=O)O)C(=O)O
• Isomeric SMILES: CNC1=C2C(=NC=N1)N(C=N2)CC(=O)N[C@@H](CC(=O)O)C(=O)O

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