| SpectraBase Compound ID | Hr4q1iXeY4I |
|---|---|
| InChI | InChI=1S/C22H28N6O14P2.2H2O/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28;;/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37);2*1H2/t12-,13-,15-,16-,17-,18-,21-,22-;;/m1../s1 |
| InChIKey | RLDIJTRWXNLRGX-MNXWHKAMSA-N |
| Mol Weight | 698.472 g/mol |
| Molecular Formula | C22H32N6O16P2 |
| Exact Mass | 698.135003 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4H7Zu8eOYnh |
|---|---|
| Name | 3-ACETYL-1-RIBOFURANOSYLPYRIDINIUM HYDROXIDE, 5' TO 5'-ESTER WITH ADENOSINE 5'-DIPHOSPHATE, INNER SALT, DIHYDRATE |
| Source of Sample | P-L Biochemicals Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32N6O16P2 |
| InChI | InChI=1S/C22H28N6O14P2.2H2O/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28;;/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37);2*1H2/t12-,13-,15-,16-,17-,18-,21-,22-;;/m1../s1 |
| InChIKey | RLDIJTRWXNLRGX-MNXWHKAMSA-N |
| Molecular Weight | 698.474200 |
| Synonyms | PYRIDINIUM HYDROXIDE, 3-ACETYL-1- RIBOFURANOSYL-, 5* TO 5*-ESTER WITH ADENOSINE 5*-DIPHOSPHATE, INNER SALT, DIHYDRATE |
| Technique | KBr WAFER |