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9-[(2'S,3'S)-4'-Hydroxy-2',3'-isopropylidenedioxybutyl]guanine
SpectraBase Compound ID ETh4jpArUO3
InChI InChI=1S/C12H17N5O4/c1-12(2)20-6(7(4-18)21-12)3-17-5-14-8-9(17)15-11(13)16-10(8)19/h5-7,18H,3-4H2,1-2H3,(H3,13,15,16,19)/t6-,7-/m0/s1
InChIKey OMBAACGBAFDTBT-BQBZGAKWSA-N
Mol Weight 295.3 g/mol
Molecular Formula C12H17N5O4
Exact Mass 295.128054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eTNgwghvs
Name 9-[(2'S,3'S)-4'-Hydroxy-2',3'-isopropylidenedioxybutyl]guanine
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Formula C12H17N5O4
InChI InChI=1S/C12H17N5O4/c1-12(2)20-6(7(4-18)21-12)3-17-5-14-8-9(17)15-11(13)16-10(8)19/h5-7,18H,3-4H2,1-2H3,(H3,13,15,16,19)/t6-,7-/m0/s1
InChIKey OMBAACGBAFDTBT-BQBZGAKWSA-N
Molecular Weight 295.299 g/mol
SMILES OC[C@@]1(OC(O[C@]1(C[n]1cnc2c1N=C(NC2=O)N)[H])(C)C)[H]
SPLASH splash10-0wmi-0980000000-89f265a1050f4aea8e3e
Source of Spectrum KC-0-944-5
Synonyms 2-Amino-9-{[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-1,9-dihydro-6H-purin-6-one 9-[(2S,3S)-4-Hydroxy-2,3-isopropylidenedioxybutyl]guanine
Wiley ID 824591