| SpectraBase Compound ID | 2a6L2mtJ8ir |
|---|---|
| InChI | InChI=1S/2C43H47N4O13PSSe/c2*1-25-21-46(41(51)44-39(25)49)37-19-33(57-27(3)48)36(59-37)24-56-61(62,63)60-34-20-38(47-22-26(2)40(50)45-42(47)52)58-35(34)23-55-43(28-9-7-6-8-10-28,29-11-15-31(53-4)16-12-29)30-13-17-32(54-5)18-14-30/h2*6-18,21-22,33-38H,19-20,23-24H2,1-5H3,(H,62,63)(H,44,49,51)(H,45,50,52)/p-2/t2*33-,34-,35+,36+,37+,38+,61?/m11/s1 |
| InChIKey | JIIAFVCMAOJQLU-WCLUWOFGSA-L |
| Mol Weight | 1937.7 g/mol |
| Molecular Formula | C86H92N8O26P2S2Se2 |
| Exact Mass | 1938.336985 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOT16N5HSpr |
|---|---|
| Name | 3'-O-ACETYL-5'-O-(4,4'-DIMETHOXYTRITYL)-DITHYMIDYLYL-3',5'-PHOSPHOROTHIOSELENOATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H92N8O26P2S2Se2 |
| InChI | InChI=1S/2C43H47N4O13PSSe/c2*1-25-21-46(41(51)44-39(25)49)37-19-33(57-27(3)48)36(59-37)24-56-61(62,63)60-34-20-38(47-22-26(2)40(50)45-42(47)52)58-35(34)23-55-43(28-9-7-6-8-10-28,29-11-15-31(53-4)16-12-29)30-13-17-32(54-5)18-14-30/h2*6-18,21-22,33-38H,19-20,23-24H2,1-5H3,(H,62,63)(H,44,49,51)(H,45,50,52)/p-2/t2*33-,34-,35+,36+,37+,38+,61?/m11/s1 |
| InChIKey | JIIAFVCMAOJQLU-WCLUWOFGSA-L |
| Literature Reference Author | K.MISIURA,D.SZYMANOWICZ,H.KUSNIERCZYK |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,1525(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00025-6 |
| Solvent | Unknown |
| Source File Reference | UWSI21096 |