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[(2R,3R,4R,5R)-3,4-diacetoxy-5-(2,6-diaminopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate

View entire compound with spectra: 1 MS (GC)

[(2R,3R,4R,5R)-3,4-diacetoxy-5-(2,6-diaminopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate
SpectraBase Compound ID FLBfuG6wBfG
InChI InChI=1S/C16H20N6O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H4,17,18,20,21)/t9-,11-,12-,15-/m1/s1
InChIKey SYQRSDUMMOZBJO-SDBHATRESA-N
Mol Weight 408.37 g/mol
Molecular Formula C16H20N6O7
Exact Mass 408.139347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID As9Xd4gvKxy
Name [(2R,3R,4R,5R)-3,4-diacetoxy-5-(2,6-diaminopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate
Alternate Name(s) [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,6-diaminopurin-9-yl)oxolan-2-yl]methyl acetate [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2,6-bis(azanyl)purin-9-yl]oxolan-2-yl]methyl ethanoate acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,6-diamino-9-purinyl)-2-oxolanyl]methyl ester
CAS Registry Number 52921-40-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N6O7
InChI InChI=1S/C16H20N6O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H4,17,18,20,21)/t9-,11-,12-,15-/m1/s1
InChIKey SYQRSDUMMOZBJO-SDBHATRESA-N
Molecular Weight 408.371 g/mol
SMILES Nc1nc(nc2c1nc[n]2[C@]1([C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H])N
SPLASH splash10-0a4i-0090300000-8cd0baee61d1035e83d1
Source of Spectrum I-59-2606-0
Wiley ID 1372749