![P(1)-[2-(4-NITROPHENYL)-ETHYL]-P(2)-(2',3'-O-ISOPROPYLIDENE-ADENOSIN-5'-YL)-METHYLENEBIS-(PHOSPHONATE)](/api/spectrum/3mlbJhJSphM/structure.png?h=300&w=458 "P(1)-[2-(4-NITROPHENYL)-ETHYL]-P(2)-(2',3'-O-ISOPROPYLIDENE-ADENOSIN-5'-YL)-METHYLENEBIS-(PHOSPHONATE)")
| SpectraBase Compound ID | I4ydZ46AWQJ |
|---|---|
| InChI | InChI=1S/C22H28N6O11P2/c1-22(2)38-17-15(37-21(18(17)39-22)27-11-26-16-19(23)24-10-25-20(16)27)9-36-41(33,34)12-40(31,32)35-8-7-13-3-5-14(6-4-13)28(29)30/h3-6,10-11,15,17-18,21H,7-9,12H2,1-2H3,(H,31,32)(H,33,34)(H2,23,24,25)/t15-,17-,18-,21-/m0/s1 |
| InChIKey | YEDKNBHIIGUTDQ-DBSRCYSRSA-N |
| Mol Weight | 614.44 g/mol |
| Molecular Formula | C22H28N6O11P2 |
| Exact Mass | 614.12913 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mlbJhJSphM |
|---|---|
| Name | P(1)-[2-(4-NITROPHENYL)-ETHYL]-P(2)-(2',3'-O-ISOPROPYLIDENE-ADENOSIN-5'-YL)-METHYLENEBIS-(PHOSPHONATE) |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26N6O11P2 |
| InChI | InChI=1S/C22H28N6O11P2/c1-22(2)38-17-15(37-21(18(17)39-22)27-11-26-16-19(23)24-10-25-20(16)27)9-36-41(33,34)12-40(31,32)35-8-7-13-3-5-14(6-4-13)28(29)30/h3-6,10-11,15,17-18,21H,7-9,12H2,1-2H3,(H,31,32)(H,33,34)(H2,23,24,25)/t15-,17-,18-,21-/m0/s1 |
| InChIKey | YEDKNBHIIGUTDQ-DBSRCYSRSA-N |
| Literature Reference Author | K.LESIAK,K.A.WATANABE,J.GEORGE,K.W.PANKIEWICZ |
| Literature Reference Citation | J.ORG.CHEM.,63,1906(1998) |
| Literature Reference DOI | 10.1021/jo971859a |
| Solvent | D2O |
| Source File Reference | UWSI28029 |