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5'-o-(4,4'-Dimethoxytrityl)-3'-o-(N,N-diisopropylamino)-[2-(m-methylbenzamido)-ethoxy]-phosphinyl-2'-deoxythymidine;slow-diastereomer

View entire compound with spectra: 3 NMR

5'-o-(4,4'-Dimethoxytrityl)-3'-o-(N,N-diisopropylamino)-[2-(m-methylbenzamido)-ethoxy]-phosphinyl-2'-deoxythymidine;slow-diastereomer
SpectraBase Compound ID LuqZJkWihse
InChI InChI=1S/C47H57N4O9P/c1-32(2)51(33(3)4)61(58-28-27-49(6)45(53)35-15-11-9-12-16-35)60-41-29-43(50-30-34(5)44(52)48-46(50)54)59-42(41)31-57-47(36-17-13-10-14-18-36,37-19-23-39(55-7)24-20-37)38-21-25-40(56-8)26-22-38/h9-26,30,32-33,41-43H,27-29,31H2,1-8H3,(H,48,52,54)/t41-,42+,43+,61?/m1/s1
InChIKey UQRBXZPRAWLMRV-KOBGBAOXSA-N
Mol Weight 853.0 g/mol
Molecular Formula C47H57N4O9P
Exact Mass 852.386316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTs8Qhz48Pz
Name 5'-o-(4,4'-Dimethoxytrityl)-3'-o-(N,N-diisopropylamino)-[2-(m-methylbenzamido)-ethoxy]-phosphinyl-2'-deoxythymidine;slow-diastereomer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 852.386316420 u
Formula C47H57N4O9P
InChI InChI=1S/C47H57N4O9P/c1-32(2)51(33(3)4)61(58-28-27-49(6)45(53)35-15-11-9-12-16-35)60-41-29-43(50-30-34(5)44(52)48-46(50)54)59-42(41)31-57-47(36-17-13-10-14-18-36,37-19-23-39(55-7)24-20-37)38-21-25-40(56-8)26-22-38/h9-26,30,32-33,41-43H,27-29,31H2,1-8H3,(H,48,52,54)/t41-,42+,43+,61?/m1/s1
InChIKey UQRBXZPRAWLMRV-KOBGBAOXSA-N
Molecular Weight 852.966 g/mol
SMILES [C@]1(O[C@]([C@@](C1)(OP(N(C(C)C)C(C)C)OCCN(C)C(=O)C1=CC=CC=C1)[H])(COC(C1=CC=C(C=C1)OC)(C1=CC=C(C=C1)OC)C1=CC=CC=C1)[H])(N1C(=O)NC(=O)C(C)=C1)[H]