| SpectraBase Compound ID | DAmqL4TAWgY |
|---|---|
| InChI | InChI=1S/C21H26N6O14P2.3H2O/c22-18-13-19(24-8-23-18)27(9-25-13)21-17(32)15(30)12(40-21)7-38-43(35,36)41-42(33,34)37-6-11-14(29)16(31)20(39-11)26-3-1-2-10(4-26)5-28;;;/h1-5,8-9,11-12,14-17,20-21,29-32H,6-7H2,(H3-,22,23,24,33,34,35,36);3*1H2/t11-,12-,14-,15-,16-,17-,20-,21-;;;/m1.../s1 |
| InChIKey | URTNKQRAHZVMSK-IAIZSSEOSA-N |
| Mol Weight | 702.46 g/mol |
| Molecular Formula | C21H32N6O17P2 |
| Exact Mass | 702.129918 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | E1cH5GZhxze |
|---|---|
| Name | 3-FORMYL-1-RIBOFURANOSYLPYRIDINIUM HYDROXIDE, 5' TO 5'-ESTER WITH ADENOSINE 5'-DIPHOSPHATE, INNER SALT, TRIHYDRATE |
| Source of Sample | P-L Biochemicals Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H31N6O17P2 |
| InChI | InChI=1S/C21H26N6O14P2.3H2O/c22-18-13-19(24-8-23-18)27(9-25-13)21-17(32)15(30)12(40-21)7-38-43(35,36)41-42(33,34)37-6-11-14(29)16(31)20(39-11)26-3-1-2-10(4-26)5-28;;;/h1-5,8-9,11-12,14-17,20-21,29-32H,6-7H2,(H3-,22,23,24,33,34,35,36);3*1H2/t11-,12-,14-,15-,16-,17-,20-,21-;;;/m1.../s1 |
| InChIKey | URTNKQRAHZVMSK-IAIZSSEOSA-N |
| Molecular Weight | 701.454660 |
| Synonyms | PYRIDINIUM HYDROXIDE, 3-FORMYL-1- RIBOFURANOSYL-, 5* TO 5*-ESTER WITH ADENOSINE 5*-DIPHOSPHATE, INNER SALT, TRIHYDRATE |
| Technique | KBr WAFER |