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N-[5'-O-(4,4'-DIMETHOXYTRITYL)-3'-AMINO-3'-DEOXYTHYMIDIN-3'-YL]-O-(THYMIDIN-5'-YL)-METHANEPHOSPHONAMIDATE;FAST
SpectraBase Compound ID 1BIh4C9j07j
InChI InChI=1S/C42H48N5O12P/c1-25-21-46(40(51)43-38(25)49)36-19-32(45-60(5,53)57-24-35-33(48)20-37(59-35)47-22-26(2)39(50)44-41(47)52)34(58-36)23-56-42(27-9-7-6-8-10-27,28-11-15-30(54-3)16-12-28)29-13-17-31(55-4)18-14-29/h6-18,21-22,32-37,48H,19-20,23-24H2,1-5H3,(H,45,53)(H,43,49,51)(H,44,50,52)/t32-,33+,34+,35-,36+,37-,60?/m0/s1
InChIKey FTSLJAFDGFMFLM-ULEIUIHLSA-N
Mol Weight 845.8 g/mol
Molecular Formula C42H48N5O12P
Exact Mass 845.303709 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBEz332ywql
Name N-[5'-O-(4,4'-DIMETHOXYTRITYL)-3'-AMINO-3'-DEOXYTHYMIDIN-3'-YL]-O-(THYMIDIN-5'-YL)-METHANEPHOSPHONAMIDATE;FAST
Compound Number 11AA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48N5O12P
InChI InChI=1S/C42H48N5O12P/c1-25-21-46(40(51)43-38(25)49)36-19-32(45-60(5,53)57-24-35-33(48)20-37(59-35)47-22-26(2)39(50)44-41(47)52)34(58-36)23-56-42(27-9-7-6-8-10-27,28-11-15-30(54-3)16-12-28)29-13-17-31(55-4)18-14-29/h6-18,21-22,32-37,48H,19-20,23-24H2,1-5H3,(H,45,53)(H,43,49,51)(H,44,50,52)/t32-,33+,34+,35-,36+,37-,60?/m0/s1
InChIKey FTSLJAFDGFMFLM-ULEIUIHLSA-N
Literature Reference Author B.NAWROT,M.SOBCZAK,S.ANTOSZCZYK
Literature Reference Citation ORG.LETTERS,4,1799(2002)
Literature Reference DOI 10.1021/ol0259084
Solvent CDCl3
Source File Reference UWVN33566