| SpectraBase Compound ID | n18hZOYvx0 |
|---|---|
| InChI | InChI=1S/C10H18BN5O13P3/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(17)6(18)9(27-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1H2,11H3,(H,24,25)(H2,21,22,23)(H3,12,14,15,19)/q-1/p-3/t3-,5-,6-,9-,30?/m0/s1 |
| InChIKey | JOWDTFHVQXZGDT-KCBPTUOESA-K |
| Mol Weight | 515.0 g/mol |
| Molecular Formula | C10H13BN5O13P3 |
| Exact Mass | 514.981577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B9MjapcxGuI |
|---|---|
| Name | Guanosine-5'-(alpha-p-borano)-triphosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 514.981576650 u |
| Formula | C10H13BN5O13P3 |
| InChI | InChI=1S/C10H18BN5O13P3/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(17)6(18)9(27-3)16-2-13-4-7(16)14-10(12)15-8(4)19/h2-3,5-6,9,17-18H,1H2,11H3,(H,24,25)(H2,21,22,23)(H3,12,14,15,19)/q-1/p-3/t3-,5-,6-,9-,30?/m0/s1 |
| InChIKey | JOWDTFHVQXZGDT-KCBPTUOESA-K |
| Molecular Weight | 514.967 g/mol |
| SMILES | [C@]1(O)([C@@](N2C=NC=3C(=O)NC(N)=NC23)(O[C@]([C@@]1(O)[H])(COP(=O)([BH-])OP(=O)([O-])OP(=O)([O-])[O-])[H])[H])[H] |