| SpectraBase Compound ID | 9fscVUTg6EJ |
|---|---|
| InChI | InChI=1S/C25H34N10O16P2/c26-20-13-22(30-5-28-20)34(7-32-13)24-18(40)16(38)11(49-24)4-47-52(41,42)50-12-2-45-10(15(12)37)3-46-53(43,44)51-19-17(39)9(1-36)48-25(19)35-8-33-14-21(27)29-6-31-23(14)35/h5-12,15-19,24-25,36-40H,1-4H2,(H,41,42)(H,43,44)(H2,26,28,30)(H2,27,29,31)/t9-,10-,11-,12+,15-,16-,17-,18-,19-,24-,25-/m1/s1 |
| InChIKey | ZOMANDFCRJXBGQ-VOUYDWNESA-N |
| Mol Weight | 792.5 g/mol |
| Molecular Formula | C25H34N10O16P2 |
| Exact Mass | 792.162949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K0trRASeDTh |
|---|---|
| Name | Adenylyl-(2'->5')-adenosine, adenylyl-(2'->5')adenosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 792.162949035 u |
| Formula | C25H34N10O16P2 |
| InChI | InChI=1S/C25H34N10O16P2/c26-20-13-22(30-5-28-20)34(7-32-13)24-18(40)16(38)11(49-24)4-47-52(41,42)50-12-2-45-10(15(12)37)3-46-53(43,44)51-19-17(39)9(1-36)48-25(19)35-8-33-14-21(27)29-6-31-23(14)35/h5-12,15-19,24-25,36-40H,1-4H2,(H,41,42)(H,43,44)(H2,26,28,30)(H2,27,29,31)/t9-,10-,11-,12+,15-,16-,17-,18-,19-,24-,25-/m1/s1 |
| InChIKey | ZOMANDFCRJXBGQ-VOUYDWNESA-N |
| Molecular Weight | 792.549 g/mol |
| SMILES | OC[C@@]1([C@]([C@@](OP(OC[C@@]2([C@]([C@@](OP(OC[C@@]3([C@]([C@]([C@@](O3)(N3C=Nc4c3ncnc4N)[H])(O)[H])(O)[H])[H])(=O)O)(CO2)[H])(O)[H])[H])(=O)O)([C@@](O1)(N1c2ncnc(c2N=C1)N)[H])[H])(O)[H])[H] |