![ADENOSINE-3',5'-CYCLIC-[S-(P)]-[4-[N,N-BIS-(2-(TRIMETHYLSILYL)-ETHOXYCARBONYLMETHYL)-CARBAMOYL]-2-NITROPHENYL]-METHYL-PHOSPHONATE](/api/spectrum/hFgkKHVSuO/structure.png?h=300&w=458 "ADENOSINE-3',5'-CYCLIC-[S-(P)]-[4-[N,N-BIS-(2-(TRIMETHYLSILYL)-ETHOXYCARBONYLMETHYL)-CARBAMOYL]-2-NITROPHENYL]-METHYL-PHOSPHONATE")
| SpectraBase Compound ID | 63clI5vcSqN |
|---|---|
| InChI | InChI=1S/C32H46N7O13PSi2/c1-54(2,3)11-9-47-24(40)14-37(15-25(41)48-10-12-55(4,5)6)31(43)20-7-8-21(22(13-20)39(44)45)16-49-53(46)50-17-23-28(52-53)27(42)32(51-23)38-19-36-26-29(33)34-18-35-30(26)38/h7-8,13,18-19,23,27-28,32,42H,9-12,14-17H2,1-6H3,(H2,33,34,35)/t23-,27-,28-,32-,53-/m0/s1 |
| InChIKey | JAQMSRTWQKFHDR-CEVXVCSVSA-N |
| Mol Weight | 823.9 g/mol |
| Molecular Formula | C32H46N7O13PSi2 |
| Exact Mass | 823.242975 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hFgkKHVSuO |
|---|---|
| Name | ADENOSINE-3',5'-CYCLIC-[S-(P)]-[4-[N,N-BIS-(2-(TRIMETHYLSILYL)-ETHOXYCARBONYLMETHYL)-CARBAMOYL]-2-NITROPHENYL]-METHYL-PHOSPHONATE |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46N7O13PSi2 |
| InChI | InChI=1S/C32H46N7O13PSi2/c1-54(2,3)11-9-47-24(40)14-37(15-25(41)48-10-12-55(4,5)6)31(43)20-7-8-21(22(13-20)39(44)45)16-49-53(46)50-17-23-28(52-53)27(42)32(51-23)38-19-36-26-29(33)34-18-35-30(26)38/h7-8,13,18-19,23,27-28,32,42H,9-12,14-17H2,1-6H3,(H2,33,34,35)/t23-,27-,28-,32-,53-/m0/s1 |
| InChIKey | JAQMSRTWQKFHDR-CEVXVCSVSA-N |
| Literature Reference Author | L.WANG,J.E.T.CORRIE,J.F.WOOTTON |
| Literature Reference Citation | J.ORG.CHEM.,67,3474(2002) |
| Literature Reference DOI | 10.1021/jo020040g |
| Solvent | CDCl3:CD3OD=9:1 |
| Source File Reference | UWMS24808 |