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N(6)-Benzoyl-9-(2',3'-dideoxy-.beta.-D-glucopyranosyl)-adenine
SpectraBase Compound ID LgDvvEcSAmq
InChI InChI=1S/C18H19N5O4/c24-8-13-12(25)6-7-14(27-13)23-10-21-15-16(19-9-20-17(15)23)22-18(26)11-4-2-1-3-5-11/h1-5,9-10,12-14,24-25H,6-8H2,(H,19,20,22,26)/t12-,13+,14+/m0/s1
InChIKey MGXHJBUKXIZTPB-BFHYXJOUSA-N
Mol Weight 369.38 g/mol
Molecular Formula C18H19N5O4
Exact Mass 369.143704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ep5ivj9af75
Name N(6)-Benzoyl-9-(2',3'-dideoxy-.beta.-D-glucopyranosyl)-adenine
Alternate Name(s) N-{9-[5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-purin-6-yl}benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N5O4
InChI InChI=1S/C18H19N5O4/c24-8-13-12(25)6-7-14(27-13)23-10-21-15-16(19-9-20-17(15)23)22-18(26)11-4-2-1-3-5-11/h1-5,9-10,12-14,24-25H,6-8H2,(H,19,20,22,26)/t12-,13+,14+/m0/s1
InChIKey MGXHJBUKXIZTPB-BFHYXJOUSA-N
Molecular Weight 369.381 g/mol
SMILES N(c1c2c([n]([C@]3(CC[C@@]([C@](O3)(CO)[H])(O)[H])[H])cn2)ncn1)C(=O)c1ccccc1
SPLASH splash10-0a70-9800000000-22103626f85b64b42f4e
Source of Spectrum H-75-1458-21
Wiley ID 1353577