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Adenosine, 3'-O-methyl-, 2'-acetate
SpectraBase Compound ID IuWuGezggkf
InChI InChI=1S/C13H17N5O5/c1-6(20)22-10-9(21-2)7(3-19)23-13(10)18-5-17-8-11(14)15-4-16-12(8)18/h4-5,7,9-10,13,19H,3H2,1-2H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
InChIKey QSDUZZXHJMIRBS-QYVSTXNMSA-N
Mol Weight 323.31 g/mol
Molecular Formula C13H17N5O5
Exact Mass 323.122969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CF3Tbm5nQIT
Name Adenosine, 3'-O-methyl-, 2'-acetate
Alternate Name(s) (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-4-methoxyoxolan-3-yl acetate 2'-O-acetyl-3'-O-methyladenosine
CAS Registry Number 65798-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N5O5
InChI InChI=1S/C13H17N5O5/c1-6(20)22-10-9(21-2)7(3-19)23-13(10)18-5-17-8-11(14)15-4-16-12(8)18/h4-5,7,9-10,13,19H,3H2,1-2H3,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
InChIKey QSDUZZXHJMIRBS-QYVSTXNMSA-N
Molecular Weight 323.309 g/mol
SMILES OC[C@@]1([C@]([C@]([C@]([n]2c3c(c(ncn3)N)nc2)(O1)[H])(OC(=O)C)[H])(OC)[H])[H]
SPLASH splash10-000i-0910000000-892ed1fd45df46b01719
Source of Spectrum I-57-279-0
Wiley ID 1322293