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[(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[deuterio-(4,4-dideuterio-4-acetoxy-3-methyl-butyl)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-[deuterio-(4,4-dideuterio-4-acetoxy-3-methyl-butyl)amino]purin-9-yl]tetrahydrofuran-2-yl]methyl acetate
SpectraBase Compound ID GGDGnQiXF8u
InChI InChI=1S/C23H31N5O9/c1-12(8-33-13(2)29)6-7-24-21-18-22(26-10-25-21)28(11-27-18)23-20(36-16(5)32)19(35-15(4)31)17(37-23)9-34-14(3)30/h10-12,17,19-20,23H,6-9H2,1-5H3,(H,24,25,26)/t12?,17-,19-,20-,23-/m1/s1/i8D2/hD
InChIKey WUSQARBTFWIJOL-IDXUMUBLSA-N
Mol Weight 524.55 g/mol
Molecular Formula C23H282D3N5O9
Exact Mass 524.231008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3x5GVUEAFvs
Name [(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[deuterio-(4,4-dideuterio-4-acetoxy-3-methyl-butyl)amino]purin-9-yl]tetrahydrofuran-2-yl]methyl acetate
Alternate Name(s) (2R,3R,4R,5R)-2-(6-((4-acetoxy-3-methylbutyl-4,4-d2)amino-d)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28D3N5O9
InChI InChI=1S/C23H31N5O9/c1-12(8-33-13(2)29)6-7-24-21-18-22(26-10-25-21)28(11-27-18)23-20(36-16(5)32)19(35-15(4)31)17(37-23)9-34-14(3)30/h10-12,17,19-20,23H,6-9H2,1-5H3,(H,24,25,26)/t12?,17-,19-,20-,23-/m1/s1/i8D2/hD
InChIKey WUSQARBTFWIJOL-IDXUMUBLSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 524.545 g/mol
SMILES c1(ncnc2c1nc[n]2[C@]1([C@](OC(C)=O)([C@](OC(C)=O)([C@@](COC(C)=O)(O1)[H])[H])[H])[H])N(CCC(C(OC(C)=O)([2D])[2D])C)[2D]
SPLASH splash10-000g-6930000000-52d470d1235f7dc32041
Source of Spectrum PA-7-63-63_20
Wiley ID 1800155