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(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-(3-methylbut-2-enylamino)-7H-purin-7-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SpectraBase Compound ID 2VYVnosW5y5
InChI InChI=1S/C24H31N5O9/c1-12(2)7-8-25-22-18-23(27-10-26-22)28-11-29(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 MDOUYCDCOFCJJH-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 KD4Dpt2mG7p
Name (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-(3-methylbut-2-enylamino)-7H-purin-7-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
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Formula C24H31N5O9
InChI InChI=1S/C24H31N5O9/c1-12(2)7-8-25-22-18-23(27-10-26-22)28-11-29(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 MDOUYCDCOFCJJH-UKMCQSRUSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 533.538 g/mol
SMILES N(c1ncnc2c1[n](cn2)[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@@](COC(=O)C)(O1)[H])[H])[H])[H])[H])CC=C(C)C
SPLASH splash10-01p6-7900100000-ae95bd118cb553ae0168
Source of Spectrum PA-7-63-63_6
Synonyms (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-((3-methylbut-2-en-1-yl)amino)-7H-purin-7-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Wiley ID 1800177