| SpectraBase Compound ID | 7yhv0kbETrY |
|---|---|
| InChI | InChI=1S/C8H15N4O13P3/c9-7(14)8-10-3-12(11-8)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h3-6,13H,1-2H2,(H2,9,14)(H,18,19)(H,20,21)(H2,15,16,17)/p-4/t4-,5+,6+/m0/s1 |
| InChIKey | FKUHJIXCXJPSTE-KVQBGUIXSA-J |
| Mol Weight | 464.11 g/mol |
| Molecular Formula | C8H11N4O13P3 |
| Exact Mass | 463.953547 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FBlsUusTTI4 |
|---|---|
| Name | 1-(2'-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-(1H)-1,2,4-TRIAZOLE-3-CARBOXAMIDE-5'-TRIPHOSPHATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H11N4O13P3 |
| InChI | InChI=1S/C8H15N4O13P3/c9-7(14)8-10-3-12(11-8)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h3-6,13H,1-2H2,(H2,9,14)(H,18,19)(H,20,21)(H2,15,16,17)/p-4/t4-,5+,6+/m0/s1 |
| InChIKey | FKUHJIXCXJPSTE-KVQBGUIXSA-J |
| Literature Reference Author | W.WU,D.E.BREGSTROM,V.J.DAVISSON |
| Literature Reference Citation | J.ORG.CHEM.,68,3860(2003) |
| Literature Reference DOI | 10.1021/jo020745i |
| Solvent | D2O |
| Source File Reference | UWLU23208 |