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9-{(1'.beta.,3'a.alpha.,4'.beta.)-4'-[Ethoxy(hydroxy)phosphorylmethoxy]-3'-hydroxycyclopentyl}adenine 3',4'-cyclic acid ester
SpectraBase Compound ID GIDrQjgPsEj
InChI InChI=1S/C13H18N5O4P/c1-2-21-23(19)7-20-9-3-8(4-10(9)22-23)18-6-17-11-12(14)15-5-16-13(11)18/h5-6,8-10H,2-4,7H2,1H3,(H2,14,15,16)/t8-,9+,10+,23?/m1/s1
InChIKey KMJYQDDDHSTCMR-ALUIPPCLSA-N
Mol Weight 339.29 g/mol
Molecular Formula C13H18N5O4P
Exact Mass 339.109641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8KNlB9qzl6
Name 9-{(1'.beta.,3'a.alpha.,4'.beta.)-4'-[Ethoxy(hydroxy)phosphorylmethoxy]-3'-hydroxycyclopentyl}adenine 3',4'-cyclic acid ester
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Formula C13H18N5O4P
InChI InChI=1S/C13H18N5O4P/c1-2-21-23(19)7-20-9-3-8(4-10(9)22-23)18-6-17-11-12(14)15-5-16-13(11)18/h5-6,8-10H,2-4,7H2,1H3,(H2,14,15,16)/t8-,9+,10+,23?/m1/s1
InChIKey KMJYQDDDHSTCMR-ALUIPPCLSA-N
Molecular Weight 339.292 g/mol
SMILES Nc1c2c([n](cn2)[C@]2(C[C@@]3(OP(=O)(OCC)CO[C@]3(C2)[H])[H])[H])ncn1
SPLASH splash10-000i-0940000000-af685c8bb3b337fb8e1a
Source of Spectrum KC-0-3605-6
Synonyms 9-{(1'beta,3'aalpha,4'beta)-4'-[Ethoxy(hydroxy)phosphorylmethoxy]-3'-hydroxycyclopentyl}adenine 3',4'-cyclic acid ester
Wiley ID 824015