| SpectraBase Compound ID | 2yJnxPcaxz6 |
|---|---|
| InChI | InChI=1S/C21H27N7O14P2/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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
| InChIKey | BAWFJGJZGIEFAR-NNYOXOHSSA-N |
| Mol Weight | 663.43 g/mol |
| Molecular Formula | C21H27N7O14P2 |
| Exact Mass | 663.109123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xPBDMuYNQW |
|---|---|
| Name | 3-CARBAMOYL-1-(beta-RIBOFURANOSYL)PYRIDINIUM HYDROXIDE, 5->5'-ESTERWITH ADENOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE), INNER SALT,TRIHYDRATE |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 53-84-9 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27N7O14P2 3H2O |
| InChI | InChI=1S/C21H27N7O14P2/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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
| InChIKey | BAWFJGJZGIEFAR-NNYOXOHSSA-N |
| Molecular Weight | 663.44 |
| Solvent | Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20 |