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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2R,3R,4R,5R)-2-(6-((E)-4-acetoxy-3-methylbut-2-enylamino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
SpectraBase Compound ID Hb5huGCsRL7
InChI InChI=1S/C23H29N5O9/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/h6,10-11,17,19-20,23H,7-9H2,1-5H3,(H,24,25,26)/b12-6+/t17-,19-,20-,23-/m1/s1
InChIKey HPLIXZZBRXYQRL-SECHZTAISA-N
Mol Weight 519.51 g/mol
Molecular Formula C23H29N5O9
Exact Mass 519.196528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJIZN3WG04m
Name (2R,3R,4R,5R)-2-(6-((E)-4-acetoxy-3-methylbut-2-enylamino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
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Formula C23H29N5O9
InChI InChI=1S/C23H29N5O9/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/h6,10-11,17,19-20,23H,7-9H2,1-5H3,(H,24,25,26)/b12-6+/t17-,19-,20-,23-/m1/s1
InChIKey HPLIXZZBRXYQRL-SECHZTAISA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 519.511 g/mol
SMILES N(c1c2nc[n](c2ncn1)[C@]1([C@](OC(=O)C)([C@](OC(=O)C)([C@@](COC(=O)C)(O1)[H])[H])[H])[H])C\C=C/(C)COC(C)=O
SPLASH splash10-0udl-9280100000-aa1d024e29663cab55b0
Source of Spectrum PA-7-63-63_12
Synonyms (2R,3R,4R,5R)-2-(6-(((E)-4-acetoxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
Wiley ID 1800146