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P-(N,N'-DICYCLOHEXYLUREIDO)-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE (DIASTEREOMER 1)
SpectraBase Compound ID A7QUMWUcG7
InChI InChI=1S/C37H54N6O17P2/c1-21-17-41(35(48)39-33(21)46)31-15-27(56-23(3)44)29(58-31)19-54-61(51,43(26-13-9-6-10-14-26)37(50)38-25-11-7-5-8-12-25)60-62(52,53)55-20-30-28(57-24(4)45)16-32(59-30)42-18-22(2)34(47)40-36(42)49/h17-18,25-32H,5-16,19-20H2,1-4H3,(H,38,50)(H,52,53)(H,39,46,48)(H,40,47,49)/t27-,28-,29+,30+,31+,32+,61?/m0/s1
InChIKey RXUOEVPXMRZJSB-LMXLONFDSA-N
Mol Weight 916.8 g/mol
Molecular Formula C37H54N6O17P2
Exact Mass 916.302068 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDAuyUP4y7i
Name P-(N,N'-CYCLOHEXYLUREIDO)-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 C37H54N6O17P2
InChI InChI=1S/C37H54N6O17P2/c1-21-17-41(35(48)39-33(21)46)31-15-27(56-23(3)44)29(58-31)19-54-61(51,43(26-13-9-6-10-14-26)37(50)38-25-11-7-5-8-12-25)60-62(52,53)55-20-30-28(57-24(4)45)16-32(59-30)42-18-22(2)34(47)40-36(42)49/h17-18,25-32H,5-16,19-20H2,1-4H3,(H,38,50)(H,52,53)(H,39,46,48)(H,40,47,49)/t27-,28-,29+,30+,31+,32+,61?/m0/s1
InChIKey RXUOEVPXMRZJSB-LMXLONFDSA-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