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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

Compound with spectra: 2 NMR

[(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
Enantiomer InChIKey DATBTVXOZIFIHZ-XDKXFUCDSA-N

View Spectrum of [(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

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O

View Spectrum of [(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

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O
(RP)-5'-N3-METHYL-4-THIOTHYMIDINE-3'-THYMIDINYL-METHYLPHOSPHONATE
VMXUKCZYTXOLOD-UGUQRCTESA-N
PHOSPHORILATED TRITHYMIDYLATE, DEACYLATED
5'-(5'-O-METHOXYTRITYLDEOXYTHYMID-3'-YLOXYPHOSPHORYL)DEOXYTHYMIDINE
3'-O-ACETYL-5'-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXYPHOSPHORYL)DEOXYTHYMIDINE, CYCLOHEXYLAMMONIUM SALT
3'-O-(3'-O-ACETYLTHYMIDIN-5'-YLPHOSPHORYL)THYMIDIN-5'-(3-METHYLIMIDAZOLYL)PHOSPHATE, ANION, BETAINE
3'-O-ACETYL-5'-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXYPHOSPHORYL)DEOXYTHYMIDINE
3'-O-(3'-O-ACETYLTHYMIDIN-5'-YLPHOSPHORYL)THYMIDIN-5'-(PARA-DIMETHYLAMINOPYRIDYL)PHOSPHATE, ANION, BETAINE
OWCCQMKSWRNVOE-HOXSPNFXSA-N
HLMCVUXOBOUJDA-AIVVDNAISA-N
Title Journal or Book Year
Photochemistry of Di(deoxyribonucleoside) Methylphosphonates Containing N3-Methyl-4-thiothymine The Journal of Organic Chemistry 1994
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