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(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-(3-methylbut-2-enylamino)-2-(methylthio)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate

View entire compound with spectra: 1 MS (GC)

(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-(3-methylbut-2-enylamino)-2-(methylthio)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
SpectraBase Compound ID AaMv5lZ0GIw
InChI InChI=1S/C22H29N5O7S/c1-11(2)7-8-23-19-16-20(26-22(25-19)35-6)27(10-24-16)21-18(33-14(5)30)17(32-13(4)29)15(34-21)9-31-12(3)28/h7,10,15,17-18,21H,8-9H2,1-6H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
InChIKey YQSLPPCHJHXFTG-QTQZEZTPSA-N
Mol Weight 507.56 g/mol
Molecular Formula C22H29N5O7S
Exact Mass 507.178769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxWUGF2waNR
Name (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-(3-methylbut-2-enylamino)-2-(methylthio)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
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Formula C22H29N5O7S
InChI InChI=1S/C22H29N5O7S/c1-11(2)7-8-23-19-16-20(26-22(25-19)35-6)27(10-24-16)21-18(33-14(5)30)17(32-13(4)29)15(34-21)9-31-12(3)28/h7,10,15,17-18,21H,8-9H2,1-6H3,(H,23,25,26)/t15-,17-,18-,21-/m1/s1
InChIKey YQSLPPCHJHXFTG-QTQZEZTPSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 507.562 g/mol
SMILES N(c1c2nc[n](c2nc(n1)SC)[C@]1([C@@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])CC=C(C)C
SPLASH splash10-0a4i-2190000000-ca0aad943dddf721af03
Source of Spectrum PA-7-63-63_8
Synonyms (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-((3-methylbut-2-en-1-yl)amino)-2-(methylthio)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
Wiley ID 1800179