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5'-METHOXYTRITYLDEOXYADENOSINE-3'-2-CHLOROPHENYL(ANILIDO)PHOSPHATE(DIASTEREOMER MIXTURE)
SpectraBase Compound ID 4kzTleGPQ8L
InChI InChI=1S/C42H38ClN6O6P/c1-51-33-23-21-31(22-24-33)42(29-13-5-2-6-14-29,30-15-7-3-8-16-30)52-26-37-36(25-38(53-37)49-28-47-39-40(44)45-27-46-41(39)49)55-56(50,48-32-17-9-4-10-18-32)54-35-20-12-11-19-34(35)43/h2-24,27-28,36-38H,25-26H2,1H3,(H,48,50)(H2,44,45,46)/t36-,37+,38+,56?/m0/s1
InChIKey IRRCXDWVDXBRQQ-GHFFOPBTSA-N
Mol Weight 789.2 g/mol
Molecular Formula C42H38ClN6O6P
Exact Mass 788.227898 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFPlLnDmLKj
Name 5'-METHOXYTRITYLDEOXYADENOSINE-3'-2-CHLOROPHENYL(ANILIDO)PHOSPHATE(DIASTEREOMER MIXTURE)
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H38ClN6O6P
InChI InChI=1S/C42H38ClN6O6P/c1-51-33-23-21-31(22-24-33)42(29-13-5-2-6-14-29,30-15-7-3-8-16-30)52-26-37-36(25-38(53-37)49-28-47-39-40(44)45-27-46-41(39)49)55-56(50,48-32-17-9-4-10-18-32)54-35-20-12-11-19-34(35)43/h2-24,27-28,36-38H,25-26H2,1H3,(H,48,50)(H2,44,45,46)/t36-,37+,38+,56?/m0/s1
InChIKey IRRCXDWVDXBRQQ-GHFFOPBTSA-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