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(2R,3R,4R,5R)-2-(6-(2-acetoxybenzylamino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
SpectraBase Compound ID A7uQLYUiJ9S
InChI InChI=1S/C25H27N5O9/c1-13(31)35-10-19-21(37-15(3)33)22(38-16(4)34)25(39-19)30-12-29-20-23(27-11-28-24(20)30)26-9-17-7-5-6-8-18(17)36-14(2)32/h5-8,11-12,19,21-22,25H,9-10H2,1-4H3,(H,26,27,28)/t19-,21-,22-,25-/m1/s1
InChIKey LZGSOPHOMHCHIG-PTGPVQHPSA-N
Mol Weight 541.52 g/mol
Molecular Formula C25H27N5O9
Exact Mass 541.180877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QlPSMmwdqN
Name (2R,3R,4R,5R)-2-(6-(2-acetoxybenzylamino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
Alternate Name(s) (2R,3R,4R,5R)-2-(6-((2-acetoxybenzyl)amino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N5O9
InChI InChI=1S/C25H27N5O9/c1-13(31)35-10-19-21(37-15(3)33)22(38-16(4)34)25(39-19)30-12-29-20-23(27-11-28-24(20)30)26-9-17-7-5-6-8-18(17)36-14(2)32/h5-8,11-12,19,21-22,25H,9-10H2,1-4H3,(H,26,27,28)/t19-,21-,22-,25-/m1/s1
InChIKey LZGSOPHOMHCHIG-PTGPVQHPSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 541.517 g/mol
SMILES N(c1ncnc2c1nc[n]2[C@@]1(O[C@](COC(C)=O)([C@@](OC(C)=O)([C@]1(OC(C)=O)[H])[H])[H])[H])Cc1ccccc1OC(C)=O
SPLASH splash10-0006-9330000000-fc2e87143a80435f75a1
Source of Spectrum PA-7-63-63_28
Wiley ID 1800163