![p(1)-[2-(4-Nitrophenyl)-ethyl]-p(2)-(2',3'-o-isopropylidene-guanosin-5'-yl)-methylenebis-(phosphonate)](/api/spectrum/ELwyuV96fyo/structure.png?h=300&w=458 "p(1)-[2-(4-Nitrophenyl)-ethyl]-p(2)-(2',3'-o-isopropylidene-guanosin-5'-yl)-methylenebis-(phosphonate)")
| SpectraBase Compound ID | MF3WWw35Gq |
|---|---|
| InChI | InChI=1S/C22H28N6O12P2/c1-22(2)39-16-14(38-20(17(16)40-22)27-10-24-15-18(27)25-21(23)26-19(15)29)9-37-42(34,35)11-41(32,33)36-8-7-12-3-5-13(6-4-12)28(30)31/h3-6,10,14,16-17,20H,7-9,11H2,1-2H3,(H,32,33)(H,34,35)(H3,23,25,26,29)/t14-,16-,17-,20-/m0/s1 |
| InChIKey | QFDUDNAHTZAWGP-VERUCKTNSA-N |
| Mol Weight | 630.44 g/mol |
| Molecular Formula | C22H28N6O12P2 |
| Exact Mass | 630.124044 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELwyuV96fyo |
|---|---|
| Name | P(1)-[2-(4-NITROPHENYL)-ETHYL]-P(2)-(2',3'-O-ISOPROPYLIDENE-GUANOSIN-5'-YL)-METHYLENEBIS-(PHOSPHONATE) |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26N6O12P2 |
| InChI | InChI=1S/C22H28N6O12P2/c1-22(2)39-16-14(38-20(17(16)40-22)27-10-24-15-18(27)25-21(23)26-19(15)29)9-37-42(34,35)11-41(32,33)36-8-7-12-3-5-13(6-4-12)28(30)31/h3-6,10,14,16-17,20H,7-9,11H2,1-2H3,(H,32,33)(H,34,35)(H3,23,25,26,29)/t14-,16-,17-,20-/m0/s1 |
| InChIKey | QFDUDNAHTZAWGP-VERUCKTNSA-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 | UWSI28030 |