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bis(3'-Acetyldeoxythymidin-5'-yl)pyrophosphate
SpectraBase Compound ID Kc2YFPX2xK0
InChI InChI=1S/C24H32N4O17P2/c1-11-7-27(23(33)25-21(11)31)19-5-15(41-13(3)29)17(43-19)9-39-46(35,36)45-47(37,38)40-10-18-16(42-14(4)30)6-20(44-18)28-8-12(2)22(32)26-24(28)34/h7-8,15-20H,5-6,9-10H2,1-4H3,(H,35,36)(H,37,38)(H,25,31,33)(H,26,32,34)/t15-,16-,17+,18+,19+,20+/m0/s1
InChIKey LFCCQCHPHPHPHL-VTYCOLDWSA-N
Mol Weight 710.5 g/mol
Molecular Formula C24H32N4O17P2
Exact Mass 710.12377 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DyLU4KHcoi
Name BIS(3'-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
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Formula C24H32N4O17P2
InChI InChI=1S/C24H32N4O17P2/c1-11-7-27(23(33)25-21(11)31)19-5-15(41-13(3)29)17(43-19)9-39-46(35,36)45-47(37,38)40-10-18-16(42-14(4)30)6-20(44-18)28-8-12(2)22(32)26-24(28)34/h7-8,15-20H,5-6,9-10H2,1-4H3,(H,35,36)(H,37,38)(H,25,31,33)(H,26,32,34)/t15-,16-,17+,18+,19+,20+/m0/s1
InChIKey LFCCQCHPHPHPHL-VTYCOLDWSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C5H5N pyridine