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2',3'-Di-O-Acetyl-5'-S-(4-methoxyphenyl)-5'-thiouridine
SpectraBase Compound ID 6rtLmbbnCcV
InChI InChI=1S/C20H22N2O8S/c1-11(23)28-17-15(10-31-14-6-4-13(27-3)5-7-14)30-19(18(17)29-12(2)24)22-9-8-16(25)21-20(22)26/h4-9,15,17-19H,10H2,1-3H3,(H,21,25,26)/t15-,17-,18-,19-/m1/s1
InChIKey QYIYGFGWBLDBPD-NXWXRZEISA-N
Mol Weight 450.46 g/mol
Molecular Formula C20H22N2O8S
Exact Mass 450.109687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5d4hM5D5MQ
Name 2',3'-Di-O-Acetyl-5'-S-(4-methoxyphenyl)-5'-thiouridine
CAS Registry Number 136721-72-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O8S
InChI InChI=1S/C20H22N2O8S/c1-11(23)28-17-15(10-31-14-6-4-13(27-3)5-7-14)30-19(18(17)29-12(2)24)22-9-8-16(25)21-20(22)26/h4-9,15,17-19H,10H2,1-3H3,(H,21,25,26)/t15-,17-,18-,19-/m1/s1
InChIKey QYIYGFGWBLDBPD-NXWXRZEISA-N
Molecular Weight 450.462 g/mol
SMILES N1C(C=CN(C1=O)[C@]1([C@@]([C@](OC(=O)C)([C@](O1)(CSc1ccc(cc1)OC)[H])[H])(OC(=O)C)[H])[H])=O
SPLASH splash10-000i-0900400000-205cae8f75b6774432cf
Source of Spectrum J-56-6881-2
Synonyms (2S,3S,4R,5R)-4-(acetyloxy)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-{[(4-methoxyphenyl)sulfanyl]methyl}oxolan-3-yl acetate
Wiley ID 1387592