| SpectraBase Compound ID | 5AVJHGr25EB |
|---|---|
| InChI | InChI=1S/C63H65N4O14PSSe/c1-40-36-66(60(70)64-58(40)68)56-34-52(80-63(43-16-12-9-13-17-43,46-22-30-50(74-5)31-23-46)47-24-32-51(75-6)33-25-47)55(79-56)39-77-82(83,84-7)81-53-35-57(67-37-41(2)59(69)65-61(67)71)78-54(53)38-76-62(42-14-10-8-11-15-42,44-18-26-48(72-3)27-19-44)45-20-28-49(73-4)29-21-45/h8-33,36-37,52-57H,34-35,38-39H2,1-7H3,(H,64,68,70)(H,65,69,71)/t52-,53-,54+,55+,56+,57+,82?/m1/s1 |
| InChIKey | YVFOLFHNLXILCJ-QRYJDZCLSA-N |
| Mol Weight | 1244.2 g/mol |
| Molecular Formula | C63H65N4O14PSSe |
| Exact Mass | 1244.312083 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3kF6SrwcogG |
|---|---|
| Name | 3',5'-O,O-BIS-(4,4'-DIMETHOXYTRITYL)-DITHYMIDYLYL-3',5'-SE-METHYL-PHOSPHOROTHIOATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H65N4O14PSSe |
| InChI | InChI=1S/C63H65N4O14PSSe/c1-40-36-66(60(70)64-58(40)68)56-34-52(80-63(43-16-12-9-13-17-43,46-22-30-50(74-5)31-23-46)47-24-32-51(75-6)33-25-47)55(79-56)39-77-82(83,84-7)81-53-35-57(67-37-41(2)59(69)65-61(67)71)78-54(53)38-76-62(42-14-10-8-11-15-42,44-18-26-48(72-3)27-19-44)45-20-28-49(73-4)29-21-45/h8-33,36-37,52-57H,34-35,38-39H2,1-7H3,(H,64,68,70)(H,65,69,71)/t52-,53-,54+,55+,56+,57+,82?/m1/s1 |
| InChIKey | YVFOLFHNLXILCJ-QRYJDZCLSA-N |
| 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 | CD3Cl |
| Source File Reference | UWSI21174 |