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P-CYCLOHEXYLAMIDO-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE (DIASTEREOMER 1)
SpectraBase Compound ID 4vi01hgV9wj
InChI InChI=1S/C30H43N5O16P2/c1-16-12-34(29(40)31-27(16)38)25-10-21(47-18(3)36)23(49-25)14-45-52(42,33-20-8-6-5-7-9-20)51-53(43,44)46-15-24-22(48-19(4)37)11-26(50-24)35-13-17(2)28(39)32-30(35)41/h12-13,20-26H,5-11,14-15H2,1-4H3,(H,33,42)(H,43,44)(H,31,38,40)(H,32,39,41)/t21-,22-,23+,24+,25+,26+,52?/m0/s1
InChIKey HTJRBKHVZHWQOK-NWXIJLQZSA-N
Mol Weight 791.6 g/mol
Molecular Formula C30H43N5O16P2
Exact Mass 791.218004 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cOjCJ2IWV0
Name P-CYCLOHEXYLAMIDO-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE (DIASTEREOMER 2)
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H43N5O16P2
InChI InChI=1S/C30H43N5O16P2/c1-16-12-34(29(40)31-27(16)38)25-10-21(47-18(3)36)23(49-25)14-45-52(42,33-20-8-6-5-7-9-20)51-53(43,44)46-15-24-22(48-19(4)37)11-26(50-24)35-13-17(2)28(39)32-30(35)41/h12-13,20-26H,5-11,14-15H2,1-4H3,(H,33,42)(H,43,44)(H,31,38,40)(H,32,39,41)/t21-,22-,23+,24+,25+,26+,52?/m0/s1
InChIKey HTJRBKHVZHWQOK-NWXIJLQZSA-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