| SpectraBase Compound ID | 97Ihle5piwY |
|---|---|
| InChI | InChI=1S/2C21H29N4O11PSe/c2*1-10-6-24(20(30)22-18(10)28)16-4-12(27)15(35-16)9-33-37(32,38-3)36-13-5-17(34-14(13)8-26)25-7-11(2)19(29)23-21(25)31/h2*6-7,12-17,26-27H,4-5,8-9H2,1-3H3,(H,22,28,30)(H,23,29,31)/t2*12-,13+,14-,15+,16+,17-,37?/m00/s1 |
| InChIKey | RTXATHUPYONZNP-BVUKLVEVSA-N |
| Mol Weight | 1246.85 g/mol |
| Molecular Formula | C42H58N8O22P2Se2 |
| Exact Mass | 1248.147134 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9pdp2VZGGuI |
|---|---|
| Name | DITHYMIDYLYL-3',5'-SE-METHYL-PHOSPHOROSELENOATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H58N8O22P2Se2 |
| InChI | InChI=1S/2C21H29N4O11PSe/c2*1-10-6-24(20(30)22-18(10)28)16-4-12(27)15(35-16)9-33-37(32,38-3)36-13-5-17(34-14(13)8-26)25-7-11(2)19(29)23-21(25)31/h2*6-7,12-17,26-27H,4-5,8-9H2,1-3H3,(H,22,28,30)(H,23,29,31)/t2*12-,13+,14-,15+,16+,17-,37?/m00/s1 |
| InChIKey | RTXATHUPYONZNP-BVUKLVEVSA-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 | DMSO-D6 |
| Source File Reference | UWSI21098 |