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(2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
SpectraBase Compound ID AzVrUCTzYIQ
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
InChIKey QJRDSQHAUSEWQJ-QTQZEZTPSA-N
Mol Weight 461.48 g/mol
Molecular Formula C21H27N5O7
Exact Mass 461.191048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xcQyhoBiC
Name (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-(3-methylbut-2-enylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N5O7
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
InChIKey QJRDSQHAUSEWQJ-QTQZEZTPSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 461.475 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)C
SPLASH splash10-0gw3-5920000000-13c3c70ca44dd659de5d
Source of Spectrum PA-7-63-63_4
Synonyms (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-((3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate
Wiley ID 1800175