| SpectraBase Compound ID | GTMkSqvUMfB |
|---|---|
| InChI | InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | PXSSQXBLDTZHLF-IOSLPCCCSA-N |
| Mol Weight | 345.25 g/mol |
| Molecular Formula | C11H16N5O6P |
| Exact Mass | 345.08382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LNeI7ZUhWKk |
|---|---|
| Name | Adenosine-5'-methylphosphonate hemihydrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.083820247 u |
| Formula | C11H16N5O6P |
| InChI | InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | PXSSQXBLDTZHLF-IOSLPCCCSA-N |
| Molecular Weight | 345.252 g/mol |
| SMILES | [C@]1(N2C3=C(C(=NC=N3)N)N=C2)(O[C@](COP(=O)(O)C)([C@]([C@]1(O)[H])(O)[H])[H])[H] |