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(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

View entire compound with spectra: 1 MS (GC)

(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SpectraBase Compound ID 2QTprXVpf16
InChI InChI=1S/C24H31N5O9/c1-12(2)7-8-25-22-18-23(27-10-26-22)29(11-28-18)24-21(37-16(6)33)20(36-15(5)32)19(35-14(4)31)17(38-24)9-34-13(3)30/h7,10-11,17,19-21,24H,8-9H2,1-6H3,(H,25,26,27)/t17-,19-,20+,21-,24-/m1/s1
InChIKey SNNXNLQWDNHETI-UKMCQSRUSA-N
Mol Weight 533.54 g/mol
Molecular Formula C24H31N5O9
Exact Mass 533.212178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOaTeTobGpx
Name (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Alternate Name(s) (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-((3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31N5O9
InChI InChI=1S/C24H31N5O9/c1-12(2)7-8-25-22-18-23(27-10-26-22)29(11-28-18)24-21(37-16(6)33)20(36-15(5)32)19(35-14(4)31)17(38-24)9-34-13(3)30/h7,10-11,17,19-21,24H,8-9H2,1-6H3,(H,25,26,27)/t17-,19-,20+,21-,24-/m1/s1
InChIKey SNNXNLQWDNHETI-UKMCQSRUSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 533.538 g/mol
SMILES N(c1ncnc2c1nc[n]2[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])CC=C(C)C
SPLASH splash10-0hg6-3920000000-12cd3865afe3f0fac254
Source of Spectrum PA-7-63-63_7
Wiley ID 1800178