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(RP)-5'-N3-METHYL-4-THIOTHYMIDINE-3'-THYMIDINYL-METHYLPHOSPHONATE
SpectraBase Compound ID F0MRb6JYhgj
InChI InChI=1S/C22H31N4O10PS/c1-11-7-25(21(30)23-19(11)29)18-6-14(15(9-27)34-18)36-37(4,32)33-10-16-13(28)5-17(35-16)26-8-12(2)20(38)24(3)22(26)31/h7-8,13-18,27-28H,5-6,9-10H2,1-4H3,(H,23,29,30)/t13-,14-,15+,16+,17+,18+,37?/m0/s1
InChIKey RHKNYMFHODSXSO-ZMKDRLENSA-N
Mol Weight 574.54 g/mol
Molecular Formula C22H31N4O10PS
Exact Mass 574.149851 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvsUySA1cUt
Name (SP)-5'-N3-METHYL-4-THIOTHYMIDINE-3'-THYMIDINYL-METHYLPHOSPHONATE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31N4O10PS
InChI InChI=1S/C22H31N4O10PS/c1-11-7-25(21(30)23-19(11)29)18-6-14(15(9-27)34-18)36-37(4,32)33-10-16-13(28)5-17(35-16)26-8-12(2)20(38)24(3)22(26)31/h7-8,13-18,27-28H,5-6,9-10H2,1-4H3,(H,23,29,30)/t13-,14-,15+,16+,17+,18+,37?/m0/s1
InChIKey RHKNYMFHODSXSO-ZMKDRLENSA-N
Literature Reference Author P.CLIVIO,J.L.FOURREY,T.SZABO,J.STAWINSKI
Literature Reference Citation J.ORG.CHEM.,59,7273(1994)
Literature Reference DOI 10.1021/jo00103a018
Solvent DMSO-D6
Source File Reference UWCP7485