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(2R,3R,4R,5R)-2-(6-(4-acetoxy-3-methylbutylamino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
SpectraBase Compound ID FCvstEdA3Dt
InChI InChI=1S/C23H31N5O9/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/h10-12,17,19-20,23H,6-9H2,1-5H3,(H,24,25,26)/t12?,17-,19-,20-,23-/m1/s1
InChIKey WUSQARBTFWIJOL-WACONMJISA-N
Mol Weight 521.53 g/mol
Molecular Formula C23H31N5O9
Exact Mass 521.212178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFOPY31i2TN
Name (2R,3R,4R,5R)-2-(6-(4-acetoxy-3-methylbutylamino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31N5O9
InChI InChI=1S/C23H31N5O9/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/h10-12,17,19-20,23H,6-9H2,1-5H3,(H,24,25,26)/t12?,17-,19-,20-,23-/m1/s1
InChIKey WUSQARBTFWIJOL-WACONMJISA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 521.527 g/mol
SMILES N(c1c2c([n](cn2)[C@]2([C@@]([C@@]([C@@](COC(C)=O)(O2)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])ncn1)CCC(COC(C)=O)C
SPLASH splash10-0gvy-7940000000-410432fff9146da01fe3
Source of Spectrum PA-7-63-63_19
Synonyms (2R,3R,4R,5R)-2-(6-((4-acetoxy-3-methylbutyl)amino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
Wiley ID 1800153