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N(6)-Benzoyl-9-[(2S,4R,5R)-4-[(benzoyloxy)methyl]-5-(2-hydroxyethyl)tetrahydrofuran-2-yl]adenine
SpectraBase Compound ID SsM86inxbo
InChI InChI=1S/C26H25N5O5/c32-12-11-20-19(14-35-26(34)18-9-5-2-6-10-18)13-21(36-20)31-16-29-22-23(27-15-28-24(22)31)30-25(33)17-7-3-1-4-8-17/h1-10,15-16,19-21,32H,11-14H2,(H,27,28,30,33)/t19-,20-,21+/m1/s1
InChIKey JFWNPQKLAHIOPE-NJYVYQBISA-N
Mol Weight 487.52 g/mol
Molecular Formula C26H25N5O5
Exact Mass 487.185569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HV2VMDtweK7
Name N(6)-Benzoyl-9-[(2S,4R,5R)-4-[(benzoyloxy)methyl]-5-(2-hydroxyethyl)tetrahydrofuran-2-yl]adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25N5O5
InChI InChI=1S/C26H25N5O5/c32-12-11-20-19(14-35-26(34)18-9-5-2-6-10-18)13-21(36-20)31-16-29-22-23(27-15-28-24(22)31)30-25(33)17-7-3-1-4-8-17/h1-10,15-16,19-21,32H,11-14H2,(H,27,28,30,33)/t19-,20-,21+/m1/s1
InChIKey JFWNPQKLAHIOPE-NJYVYQBISA-N
Molecular Weight 487.516 g/mol
SMILES N(c1c2c([n]([C@]3(O[C@](CCO)([C@](C3)(COC(=O)c3ccccc3)[H])[H])[H])cn2)ncn1)C(=O)c1ccccc1
SPLASH splash10-0a6r-4900000000-18ca44f1b57f266c8006
Source of Spectrum J-56-3879-32
Synonyms [(2R,3R,5S)-5-[6-(benzoylamino)-9H-purin-9-yl]-2-(2-hydroxyethyl)tetrahydro-3-furanyl]methyl benzoate
Wiley ID 1396696