| SpectraBase Compound ID | E9qstJp5nKx |
|---|---|
| InChI | InChI=1S/C10H17BN5O9P2/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H2,12,13,14)(H2,20,21,22)/q-1/p-2/t4-,6-,7-,10-,26?/m0/s1 |
| InChIKey | PABGEACFCMYPQE-SKULRORNSA-L |
| Mol Weight | 420.0 g/mol |
| Molecular Formula | C10H13BN5O9P2 |
| Exact Mass | 420.028156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QmQn8ehXro |
|---|---|
| Name | Adenosine-5'-p-(alpha)-boranodiphosphate;S-(p)-isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.028156176 u |
| Formula | C10H13BN5O9P2 |
| InChI | InChI=1S/C10H17BN5O9P2/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H2,12,13,14)(H2,20,21,22)/q-1/p-2/t4-,6-,7-,10-,26?/m0/s1 |
| InChIKey | PABGEACFCMYPQE-SKULRORNSA-L |
| Molecular Weight | 419.998 g/mol |
| SMILES | [C@]1(O)([C@@](N2C=NC=3C(N)=NC=NC23)(O[C@]([C@@]1(O)[H])(COP(=O)([BH-])OP(=O)([O-])[O-])[H])[H])[H] |