![p(1)-[2-(4-Nitrophenyl)-ethyl]-p(2)-(2'-deoxy-3'-o-acetyl-N(2)-isobutyryl-guanosin-5'-yl)-methylenebis-(phosphonate)](/api/spectrum/H031GJh95M9/structure.png?h=300&w=458 "p(1)-[2-(4-Nitrophenyl)-ethyl]-p(2)-(2'-deoxy-3'-o-acetyl-N(2)-isobutyryl-guanosin-5'-yl)-methylenebis-(phosphonate)")
| SpectraBase Compound ID | D4AFdKzgmPg |
|---|---|
| InChI | InChI=1S/C25H34N6O12P2/c1-15(32)42-18-11-20(30-13-26-21-22(30)27-24(28-23(21)33)29-25(2,3)4)43-19(18)12-41-45(38,39)14-44(36,37)40-10-9-16-5-7-17(8-6-16)31(34)35/h5-8,13,18-20H,9-12,14H2,1-4H3,(H,36,37)(H,38,39)(H2,27,28,29,33)/t18-,19+,20+/m0/s1 |
| InChIKey | XHJFATIULCWKNI-XUVXKRRUSA-N |
| Mol Weight | 672.5 g/mol |
| Molecular Formula | C25H34N6O12P2 |
| Exact Mass | 672.170995 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H031GJh95M9 |
|---|---|
| Name | P(1)-[2-(4-NITROPHENYL)-ETHYL]-P(2)-(2'-DEOXY-3'-O-ACETYL-N(2)-ISOBUTYRYL-GUANOSIN-5'-YL)-METHYLENEBIS-(PHOSPHONATE) |
| Compound Number | 13D |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32N6O12P2 |
| InChI | InChI=1S/C25H34N6O12P2/c1-15(32)42-18-11-20(30-13-26-21-22(30)27-24(28-23(21)33)29-25(2,3)4)43-19(18)12-41-45(38,39)14-44(36,37)40-10-9-16-5-7-17(8-6-16)31(34)35/h5-8,13,18-20H,9-12,14H2,1-4H3,(H,36,37)(H,38,39)(H2,27,28,29,33)/t18-,19+,20+/m0/s1 |
| InChIKey | XHJFATIULCWKNI-XUVXKRRUSA-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 | UWSI28034 |