| SpectraBase Compound ID | HGGHTb3fotx |
|---|---|
| InChI | InChI=1S/C21H27N7O14P2.3H2O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;;;/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37);3*1H2/t10-,11+,13-,14+,15-,16+,20-,21+;;;/m0.../s1 |
| InChIKey | OPKUFMIMMZGJKL-OLKSMQLBSA-N |
| Mol Weight | 717.47 g/mol |
| Molecular Formula | C21H33N7O17P2 |
| Exact Mass | 717.140817 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 1n2uCym3EYu |
|---|---|
| Name | 3-CARBAMOYL-1-beta-D-RIBOFURANOSYLPYRIDINIUM HYDROXIDE, 5'TO 5'-ESTER WITH ADENOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE), INNER SALT, TRIHYDRATE |
| Source of Sample | P-L Biochemicals Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H33N7O17P2 |
| InChI | InChI=1S/C21H27N7O14P2.3H2O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;;;/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37);3*1H2/t10-,11+,13-,14+,15-,16+,20-,21+;;;/m0.../s1 |
| InChIKey | OPKUFMIMMZGJKL-OLKSMQLBSA-N |
| Molecular Weight | 717.466980 |
| Synonyms | COENZYME I, TRIHYDRATE PYRIDINIUM HYDROXIDE, 3-CARBAMOYL- 1-B-D-RIBOFURANOSYL-, 5* TO 5*-ESTER WITH ADENOSINE 5*-/TRIHYDROGEN PYRO- PHOSPHATE/, INNER SALT, TRIHYDRATE |
| Technique | KBr WAFER |