| SpectraBase Compound ID | GpU8r8pWcNY |
|---|---|
| InChI | InChI=1S/C11H18BCl2N5O11P3/c12-33(27,30-32(25,26)11(13,14)31(22,23)24)28-1-4-6(20)7(21)10(29-4)19-3-18-5-8(15)16-2-17-9(5)19/h2-4,6-7,10,20-21H,1H2,12H3,(H,25,26)(H2,15,16,17)(H2,22,23,24)/q-1/t4-,6-,7-,10-,33?/m1/s1 |
| InChIKey | DNFPPINCZHGPHC-IVYUSGJDSA-N |
| Mol Weight | 568.9 g/mol |
| Molecular Formula | C11H16BCl2N5O11P3 |
| Exact Mass | 567.952928 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tWB2TMuszy |
|---|---|
| Name | ADENOSINE-5'-O-(ALPHA-BORANOTRIPHOSPHATE)-BETA,GAMMA-CCL2 |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H13BCl2N5O11P3 |
| InChI | InChI=1S/C11H18BCl2N5O11P3/c12-33(27,30-32(25,26)11(13,14)31(22,23)24)28-1-4-6(20)7(21)10(29-4)19-3-18-5-8(15)16-2-17-9(5)19/h2-4,6-7,10,20-21H,1H2,12H3,(H,25,26)(H2,15,16,17)(H2,22,23,24)/q-1/t4-,6-,7-,10-,33?/m1/s1 |
| InChIKey | DNFPPINCZHGPHC-IVYUSGJDSA-N |
| Literature Reference Author | S.ELIAHU,A.MARTIN-GIL,M.J.P.DELARA,J.PINTOR,J.CAMDEN,G.A.WEI SMAN,J.LECKA,J.SEVIG |
| Literature Reference Citation | J.MED.CHEM.,53,3305(2010) |
| Literature Reference DOI | 10.1021/jm100030u |
| Solvent | D2O |
| Source File Reference | UWMZ46383 |