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D-Xylitol, 2,5-anhydro-1-C-[6-(benzoylamino)-9H-purin-9-yl]-1-S-ethyl-1-thio-, 3,4-diacetate
SpectraBase Compound ID Dw3eLm2MXXB
InChI InChI=1S/C23H25N5O6S/c1-4-35-23(19-18(34-14(3)30)16(10-32-19)33-13(2)29)28-12-26-17-20(24-11-25-21(17)28)27-22(31)15-8-6-5-7-9-15/h5-9,11-12,16,18-19,23H,4,10H2,1-3H3,(H,24,25,27,31)
InChIKey ZZVAAZLRQOHHSC-UHFFFAOYSA-N
Mol Weight 499.54 g/mol
Molecular Formula C23H25N5O6S
Exact Mass 499.152555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8woTo1uRDBw
Name D-Xylitol, 2,5-anhydro-1-C-[6-(benzoylamino)-9H-purin-9-yl]-1-S-ethyl-1-thio-, 3,4-diacetate
CAS Registry Number 40031-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N5O6S
InChI InChI=1S/C23H25N5O6S/c1-4-35-23(19-18(34-14(3)30)16(10-32-19)33-13(2)29)28-12-26-17-20(24-11-25-21(17)28)27-22(31)15-8-6-5-7-9-15/h5-9,11-12,16,18-19,23H,4,10H2,1-3H3,(H,24,25,27,31)
InChIKey ZZVAAZLRQOHHSC-UHFFFAOYSA-N
Molecular Weight 499.542 g/mol
SMILES N(c1c2c(ncn1)[n](cn2)C(C1C(C(CO1)OC(C)=O)OC(C)=O)SCC)C(c1ccccc1)=O
SPLASH splash10-0a4r-0963600000-5a65fdcdea27a27efb19
Source of Spectrum AU-24-241-6
Synonyms Acetic acid [4-acetyloxy-5-[(6-benzamido-9-purinyl)-(ethylthio)methyl]-3-oxolanyl] ester [4-acetyloxy-5-[(6-benzamidopurin-9-yl)-ethylsulfanylmethyl]oxolan-3-yl] acetate [4-acetoxy-5-[(6-benzamidopurin-9-yl)-ethylsulfanyl-methyl]tetrahydrofuran-3-yl] acetate [4-acetyloxy-5-[(6-benzamidopurin-9-yl)-ethylsulfanyl-methyl]oxolan-3-yl] ethanoate
Wiley ID 1398704