| SpectraBase Compound ID | IeMu7cFyQLU |
|---|---|
| InChI | InChI=1S/C10H18N6O15P4/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(6(17)4(29-10)1-28-34(22,23)24)30-32(18,19)15-33(20,21)31-35(25,26)27/h2-4,6-7,10,17H,1H2,(H2,11,12,13)(H2,22,23,24)(H2,25,26,27)(H3,15,18,19,20,21)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | PQKZWAYNGILBOK-KQYNXXCUSA-N |
| Mol Weight | 586.18 g/mol |
| Molecular Formula | C10H18N6O15P4 |
| Exact Mass | 585.978062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qFTexmcu0t |
|---|---|
| Name | 2'-Diphosphor-amido-phosphono-adenosine-5'-monophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 585.978061881 u |
| Formula | C10H18N6O15P4 |
| InChI | InChI=1S/C10H18N6O15P4/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(6(17)4(29-10)1-28-34(22,23)24)30-32(18,19)15-33(20,21)31-35(25,26)27/h2-4,6-7,10,17H,1H2,(H2,11,12,13)(H2,22,23,24)(H2,25,26,27)(H3,15,18,19,20,21)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | PQKZWAYNGILBOK-KQYNXXCUSA-N |
| Molecular Weight | 586.176 g/mol |
| Nominal Mass | 586 u |
| SMILES | C1=NC2=C(C(=N1)N)N=CN2[C@]1([C@@]([C@](O)([C@](O1)(COP(=O)(O)O)[H])[H])(OP(=O)(O)NP(=O)(O)OP(=O)(O)O)[H])[H] |