(4S,2R,3R,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Base Information

• Chemical Name: (4S,2R,3R,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• CAS No.: 13406-50-3
• Molecular Formula: C₁₁H₁₄ClN₅O₄
• Molecular Weight: 315.716
• DSSTox Substance ID: DTXSID90459962
• Wikidata: Q82283855
• Mol file: 13406-50-3.mol

Synonyms:13406-50-3;Adenosine, 2-chloro-N-methyl-;(4S,2R,3R,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-(2-Chloro-6-(methylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol;SCHEMBL1994057;DTXSID90459962;GZBRVFFTXXCAHH-KQYNXXCUSA-N;(2R,3R,4S,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4S,5R)-2-[2-chloro-6-(methylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Property of (4S,2R,3R,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 315.0734316
• Heavy Atom Count: 21
• Complexity: 381

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C2C(=NC(=N1)Cl)N(C=N2)C3C(C(C(O3)CO)O)O
• Isomeric SMILES: CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

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