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[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(2-keto-3,5-dimethyl-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate

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[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(2-keto-3,5-dimethyl-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
SpectraBase Compound ID 6SirEKUBxGb
InChI InChI=1S/C21H29N4O11PS/c1-10-6-24(20(29)22-18(10)28)17-5-13(14(8-26)34-17)36-37(31,32)33-9-15-12(27)4-16(35-15)25-7-11(2)19(38)23(3)21(25)30/h6-7,12-17,26-27H,4-5,8-9H2,1-3H3,(H,31,32)(H,22,28,29)/t12-,13-,14+,15+,16+,17+/m0/s1
InChIKey DATBTVXOZIFIHZ-ZDGDKENJSA-N
Mol Weight 576.51 g/mol
Molecular Formula C21H29N4O11PS
Exact Mass 576.129116 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TkxdgREUmf
Name [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] [(2R,3S,5R)-3-hydroxy-5-(2-keto-3,5-dimethyl-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N4O11PS
InChI InChI=1S/C21H29N4O11PS/c1-10-6-24(20(29)22-18(10)28)17-5-13(14(8-26)34-17)36-37(31,32)33-9-15-12(27)4-16(35-15)25-7-11(2)19(38)23(3)21(25)30/h6-7,12-17,26-27H,4-5,8-9H2,1-3H3,(H,31,32)(H,22,28,29)/t12-,13-,14+,15+,16+,17+/m0/s1
InChIKey DATBTVXOZIFIHZ-ZDGDKENJSA-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 D2O
Source File Reference UWCP7483