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(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-(benzylamino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SpectraBase Compound ID HSdjzfkAYPC
InChI InChI=1S/C26H29N5O9/c1-14(32)36-11-19-21(37-15(2)33)22(38-16(3)34)23(39-17(4)35)26(40-19)31-13-30-20-24(28-12-29-25(20)31)27-10-18-8-6-5-7-9-18/h5-9,12-13,19,21-23,26H,10-11H2,1-4H3,(H,27,28,29)/t19-,21-,22+,23-,26-/m1/s1
InChIKey WIRMQHSVNNLONY-XZWSAFPPSA-N
Mol Weight 555.54 g/mol
Molecular Formula C26H29N5O9
Exact Mass 555.196528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4T2pUyHLd2
Name (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(6-(benzylamino)-9H-purin-9-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29N5O9
InChI InChI=1S/C26H29N5O9/c1-14(32)36-11-19-21(37-15(2)33)22(38-16(3)34)23(39-17(4)35)26(40-19)31-13-30-20-24(28-12-29-25(20)31)27-10-18-8-6-5-7-9-18/h5-9,12-13,19,21-23,26H,10-11H2,1-4H3,(H,27,28,29)/t19-,21-,22+,23-,26-/m1/s1
InChIKey WIRMQHSVNNLONY-XZWSAFPPSA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199603)7_2_57
Molecular Weight 555.544 g/mol
SMILES N(Cc1ccccc1)c1c2c(ncn1)[n]([C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])cn2
SPLASH splash10-054o-8890000000-9a9b4c84cc5165537bb2
Source of Spectrum PA-7-63-63_26
Wiley ID 1800161