| SpectraBase Compound ID | JM69atnNGXG |
|---|---|
| InChI | InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-5(18)6(3(1-17)27-9)28-30(20,21)15-31(22,23)29-32(24,25)26/h2-3,5-6,9,17-18H,1H2,(H2,24,25,26)(H3,11,13,14,19)(H3,15,20,21,22,23)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | IFLXWXZIYWPLKW-UUOKFMHZSA-N |
| Mol Weight | 522.2 g/mol |
| Molecular Formula | C10H17N6O13P3 |
| Exact Mass | 522.006646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CliGgUFydAX |
|---|---|
| Name | 3'-Diphosphor-amido-phosphono-guanosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 522.006645612 u |
| Formula | C10H17N6O13P3 |
| InChI | InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-5(18)6(3(1-17)27-9)28-30(20,21)15-31(22,23)29-32(24,25)26/h2-3,5-6,9,17-18H,1H2,(H2,24,25,26)(H3,11,13,14,19)(H3,15,20,21,22,23)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | IFLXWXZIYWPLKW-UUOKFMHZSA-N |
| Molecular Weight | 522.196 g/mol |
| Nominal Mass | 522 u |
| SMILES | C1(N)=NC2=C(C(=O)N1)N=CN2[C@]1([C@](O)([C@@]([C@](O1)(CO)[H])(OP(=O)(O)NP(=O)(O)OP(=O)(O)O)[H])[H])[H] |