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5'-O-BENZOYL-2'-DEOXYADENOSINE

View entire compound with spectra: 3 NMR, and 1 MS (GC)

5'-O-BENZOYL-2'-DEOXYADENOSINE
SpectraBase Compound ID 5TweK6DKNnd
InChI InChI=1S/C17H17N5O4/c18-15-14-16(20-8-19-15)22(9-21-14)13-6-11(23)12(26-13)7-25-17(24)10-4-2-1-3-5-10/h1-5,8-9,11-13,23H,6-7H2,(H2,18,19,20)/t11-,12+,13+/m0/s1
InChIKey WTAGHLQWXHCOEV-YNEHKIRRSA-N
Mol Weight 355.35 g/mol
Molecular Formula C17H17N5O4
Exact Mass 355.128054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FevmQ5CpQz
Name [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N5O4
InChI InChI=1S/C17H17N5O4/c18-15-14-16(20-8-19-15)22(9-21-14)13-6-11(23)12(26-13)7-25-17(24)10-4-2-1-3-5-10/h1-5,8-9,11-13,23H,6-7H2,(H2,18,19,20)/t11-,12+,13+/m0/s1
InChIKey WTAGHLQWXHCOEV-YNEHKIRRSA-N
Molecular Weight 355.354 g/mol
SMILES Nc1c2c([n]([C@]3(C[C@@]([C@](O3)(COC(=O)c3ccccc3)[H])(O)[H])[H])cn2)ncn1
SPLASH splash10-0ue9-0900000000-b0959c3d86e649519c0d
Source of Spectrum J-58-659-3
Synonyms [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl benzoate [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl benzoate benzoic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester
Wiley ID 1345162