((2R,3S,4R,5R)-5-(6-Amino-8-butoxy-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate

Base Information

• Chemical Name: ((2R,3S,4R,5R)-5-(6-Amino-8-butoxy-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
• CAS No.: 344402-41-1
• Molecular Formula: C14H22N5O8P
• DSSTox Substance ID: DTXSID90443902
• Nikkaji Number: J1.265.363H
• Wikidata: Q82261886

Synonyms:344402-41-1;((2R,3S,4R,5R)-5-(6-Amino-8-butoxy-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate;DTXSID90443902;8-Butoxyadenosine 5'-phosphoric acid;8-Butoxyadenosine 5'-(dihydrogen phosphate);{[(2R,3S,4R,5R)-5-(6-amino-8-butoxy-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Chemical Property of ((2R,3S,4R,5R)-5-(6-Amino-8-butoxy-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate

Chemical Property:

• XLogP3: -2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 419.12059967
• Heavy Atom Count: 28
• Complexity: 570

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=NC2=C(N=CN=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)N
• Isomeric SMILES: CCCCOC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

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