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[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate
SpectraBase Compound ID 9nsATCGjuwF
InChI InChI=1S/C24H21N5O6/c25-20-17-21(27-12-26-20)29(13-28-17)22-18(30)19(35-24(32)15-9-5-2-6-10-15)16(34-22)11-33-23(31)14-7-3-1-4-8-14/h1-10,12-13,16,18-19,22,30H,11H2,(H2,25,26,27)/t16-,18-,19+,22-/m1/s1
InChIKey VLGGKCRTGSWDEX-NSAZKJPHSA-N
Mol Weight 475.46 g/mol
Molecular Formula C24H21N5O6
Exact Mass 475.149183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0jRWFTzqDM
Name [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate
Alternate Name(s) [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-hydroxyoxolan-2-yl]methyl benzoate [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate benzoic acid [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-hydroxy-2-oxolanyl]methyl ester
CAS Registry Number 83373-06-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N5O6
InChI InChI=1S/C24H21N5O6/c25-20-17-21(27-12-26-20)29(13-28-17)22-18(30)19(35-24(32)15-9-5-2-6-10-15)16(34-22)11-33-23(31)14-7-3-1-4-8-14/h1-10,12-13,16,18-19,22,30H,11H2,(H2,25,26,27)/t16-,18-,19+,22-/m1/s1
InChIKey VLGGKCRTGSWDEX-NSAZKJPHSA-N
Molecular Weight 475.461 g/mol
SMILES O[C@]1([C@]([n]2c3c(c(ncn3)N)nc2)(O[C@@]([C@@]1(OC(=O)c1ccccc1)[H])(COC(=O)c1ccccc1)[H])[H])[H]
SPLASH splash10-0bti-0910000000-ee9bab77cc38581af36a
Source of Spectrum Y-19-600-0
Wiley ID 1394093