(2S,3S,4R,5R)-5-(6-amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid

Base Information

• Chemical Name: (2S,3S,4R,5R)-5-(6-amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid
• CAS No.: 141018-27-1
• Molecular Formula: C₁₀H₁₀IN₅O₅
• Molecular Weight: 407.124
• DSSTox Substance ID: DTXSID701169424

Synonyms:SCHEMBL2115373;MYSJEXWNEICJTE-MXSWDONDSA-N;DTXSID701169424;(2S,3S,4R,5R)-5-(6-amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid;141018-27-1

Chemical Property of (2S,3S,4R,5R)-5-(6-amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid

Chemical Property:

• XLogP3: -1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 406.97267
• Heavy Atom Count: 21
• Complexity: 431

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Useful:

• Canonical SMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)C(=O)O)O)O)I)N
• Isomeric SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)I)N

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