For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[5,6-Dideoxy-5-(R)-methylthio-6-(p-toluenesulfonyl)-.beta.-D-ribo-hexofuranosyl]uracil
SpectraBase Compound ID AD62W6n4A5R
InChI InChI=1S/C18H22N2O7S2/c1-10-3-5-11(6-4-10)29(25,26)9-12(28-2)16-14(22)15(23)17(27-16)20-8-7-13(21)19-18(20)24/h3-8,12,14-17,22-23H,9H2,1-2H3,(H,19,21,24)/t12-,14-,15+,16?,17+/m0/s1
InChIKey VQRMIXPFSNZCTE-SNGNKRRRSA-N
Mol Weight 442.5 g/mol
Molecular Formula C18H22N2O7S2
Exact Mass 442.086843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID F2PkPk23BN4
Name 1-[5,6-Dideoxy-5-(R)-methylthio-6-(p-toluenesulfonyl)-.beta.-D-ribo-hexofuranosyl]uracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O7S2
InChI InChI=1S/C18H22N2O7S2/c1-10-3-5-11(6-4-10)29(25,26)9-12(28-2)16-14(22)15(23)17(27-16)20-8-7-13(21)19-18(20)24/h3-8,12,14-17,22-23H,9H2,1-2H3,(H,19,21,24)/t12-,14-,15+,16?,17+/m0/s1
InChIKey VQRMIXPFSNZCTE-SNGNKRRRSA-N
Molecular Weight 442.501 g/mol
SMILES O[C@@]1(C(O[C@]([C@@]1(O)[H])(N1C(NC(C=C1)=O)=O)[H])[C@](CS(c1ccc(cc1)C)(=O)=O)(SC)[H])[H]
SPLASH splash10-0079-0390000000-fe54ceed980cde8b5e7e
Source of Spectrum I-69-2110-8
Synonyms 1-[(2R,3R,4S)-3,4-dihydroxy-5-[(1R)-2-[(4-methylbenzene)sulfonyl]-1-(methylsulfanyl)ethyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione 1-[6-deoxy-5-S-methyl-5-thio-6-(p-toluenesulfonyl)-.alpha.-L-talofuranosyl]uracil
Wiley ID 1385197