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[(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[[4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl acetate

View entire compound with spectra: 1 MS (GC)

[(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[[4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl acetate
SpectraBase Compound ID 2udESW76oQI
InChI InChI=1S/C21H27N5O7/c1-11(2)6-7-22-19-16-20(24-9-23-19)26(10-25-16)21-18(32-14(5)29)17(31-13(4)28)15(33-21)8-30-12(3)27/h6,9-10,15,17-18,21H,7-8H2,1-5H3,(H,22,23,24)/t15-,17-,18-,21-/m1/s1/i1D3,2D3
InChIKey QJRDSQHAUSEWQJ-UIIOZVAZSA-N
Mol Weight 467.51 g/mol
Molecular Formula C21H212D6N5O7
Exact Mass 467.228709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Exfl5zggTHG
Name [(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[[4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21D6N5O7
InChI InChI=1S/C21H27N5O7/c1-11(2)6-7-22-19-16-20(24-9-23-19)26(10-25-16)21-18(32-14(5)29)17(31-13(4)28)15(33-21)8-30-12(3)27/h6,9-10,15,17-18,21H,7-8H2,1-5H3,(H,22,23,24)/t15-,17-,18-,21-/m1/s1/i1D3,2D3
InChIKey QJRDSQHAUSEWQJ-UIIOZVAZSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 467.512 g/mol
SMILES N(c1c2nc[n](c2ncn1)[C@]1([C@@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])CC=C(C([2D])([2D])[2D])C([2D])([2D])[2D]
SPLASH splash10-01ox-6920000000-e46834a0b07874f32998
Source of Spectrum PA-7-63-63_5
Synonyms (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-((3-(methyl-d3)but-2-en-1-yl-4,4,4-d3)amino)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
Wiley ID 1800176