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7-[(1'.alpha.,3'.alpha.,4'.beta.)-4'-(Diethylphosphono)methoxy-3'-hydroxycyclopentyl]-6-chloropurine
SpectraBase Compound ID JOaUAPBWHG6
InChI InChI=1S/C15H22ClN4O5P/c1-3-24-26(22,25-4-2)9-23-12-6-10(5-11(12)21)20-8-19-15-13(20)14(16)17-7-18-15/h7-8,10-12,21H,3-6,9H2,1-2H3/t10-,11-,12-/m1/s1
InChIKey JLBSRABVPISUOI-IJLUTSLNSA-N
Mol Weight 404.79 g/mol
Molecular Formula C15H22ClN4O5P
Exact Mass 404.101635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1exlQo6ecy
Name 7-[(1'.alpha.,3'.alpha.,4'.beta.)-4'-(Diethylphosphono)methoxy-3'-hydroxycyclopentyl]-6-chloropurine
Alternate Name(s) 7-[(1'.beta.,3'.alpha.,4'.beta.)-4'-(Diethylphosphono)methoxy-3'-hydroxycyclopentyl]-6-chloropurine Diethyl {[(1R,2R,4R)-4-(6-chloro-7H-purin-7-yl)-2-hydroxycyclopentyl]oxy}methylphosphonate
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Formula C15H22ClN4O5P
InChI InChI=1S/C15H22ClN4O5P/c1-3-24-26(22,25-4-2)9-23-12-6-10(5-11(12)21)20-8-19-15-13(20)14(16)17-7-18-15/h7-8,10-12,21H,3-6,9H2,1-2H3/t10-,11-,12-/m1/s1
InChIKey JLBSRABVPISUOI-IJLUTSLNSA-N
Molecular Weight 404.791 g/mol
SMILES O[C@@]1(C[C@@]([n]2c3c(ncnc3Cl)nc2)(C[C@]1(OCP(=O)(OCC)OCC)[H])[H])[H]
SPLASH splash10-0ufs-4940000000-7d0edf716dbcbcbaa718
Source of Spectrum PS-0-2743-17
Wiley ID 786862