| SpectraBase Compound ID | K2uZbOyO7us |
|---|---|
| InChI | InChI=1S/C9H18BN3O13P3/c10-27(17,25-29(21,22)26-28(18,19)20)23-3-4-6(14)7(15)8(24-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,10H3,(H,21,22)(H2,11,12,16)(H2,18,19,20)/q-1/p-3/t4-,6-,7-,8-,27?/m0/s1 |
| InChIKey | HELOWUADMYNCSO-NTXLUVFJSA-K |
| Mol Weight | 474.9 g/mol |
| Molecular Formula | C9H13BN3O13P3 |
| Exact Mass | 474.975429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Il7rntZyAY8 |
|---|---|
| Name | Cytidine-5'-(alpha-p-borano)-triphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.975428642 u |
| Formula | C9H13BN3O13P3 |
| InChI | InChI=1S/C9H18BN3O13P3/c10-27(17,25-29(21,22)26-28(18,19)20)23-3-4-6(14)7(15)8(24-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,10H3,(H,21,22)(H2,11,12,16)(H2,18,19,20)/q-1/p-3/t4-,6-,7-,8-,27?/m0/s1 |
| InChIKey | HELOWUADMYNCSO-NTXLUVFJSA-K |
| Molecular Weight | 474.942 g/mol |
| SMILES | [C@]1(O)([C@@](N2C(=O)N=C(N)C=C2)(O[C@]([C@@]1(O)[H])(COP(=O)([BH-])OP(=O)([O-])OP(=O)([O-])[O-])[H])[H])[H] |