| SpectraBase Compound ID | 2p5dEl7VNW1 |
|---|---|
| InChI | InChI=1S/C19H21BrN5O8P/c1-19(2)31-13-11(7-29-34(27,28)33-10-6-4-3-5-9(10)26)30-17(14(13)32-19)25-16-12(24-18(25)20)15(21)22-8-23-16/h3-6,8,11,13-14,17,26H,7H2,1-2H3,(H,27,28)(H2,21,22,23)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | ONMIPFOOZONFLS-MJFSBKNWSA-N |
| Mol Weight | 558.28 g/mol |
| Molecular Formula | C19H21BrN5O8P |
| Exact Mass | 557.031113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PrIlZhmgLp |
|---|---|
| Name | 2',3'-ISOPROPYLIDENE-C8-BROMO-ADENOSINE-5'-MONOPHOSPHATE-(ORTHO-HYDROXY-PHENYLESTER);BR-AMP-AC-S |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H20BrN5O8P |
| InChI | InChI=1S/C19H21BrN5O8P/c1-19(2)31-13-11(7-29-34(27,28)33-10-6-4-3-5-9(10)26)30-17(14(13)32-19)25-16-12(24-18(25)20)15(21)22-8-23-16/h3-6,8,11,13-14,17,26H,7H2,1-2H3,(H,27,28)(H2,21,22,23)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | ONMIPFOOZONFLS-MJFSBKNWSA-N |
| Literature Reference Author | L.SCHMITT,R.TAMPE |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,5532(1996) |
| Literature Reference DOI | 10.1021/ja953937m |
| Molecular Weight | 557.274 g/mol |
| Sample ID | 55004 |
| Solvent | DMSO |