| SpectraBase Compound ID | 6ac4BZ9fwVg |
|---|---|
| InChI | InChI=1S/C12H20BCl2N5O11P3S/c1-35-11-18-8(16)5-9(19-11)20(3-17-5)10-7(22)6(21)4(30-10)2-29-34(13,28)31-33(26,27)12(14,15)32(23,24)25/h3-4,6-7,10,21-22H,2H2,1,13H3,(H,26,27)(H2,16,18,19)(H2,23,24,25)/q-1/t4-,6-,7-,10-,34?/m1/s1 |
| InChIKey | RVOCLCPVMLJBOS-PFKVCYQRSA-N |
| Mol Weight | 615.0 g/mol |
| Molecular Formula | C12H18BCl2N5O11P3S |
| Exact Mass | 613.940649 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TPWtwyPJWz |
|---|---|
| Name | 2-MES-ADENOSINE-5'-O-(ALPHA-BORANOTRIPHOSPHATE)-BETA,GAMMA-CCL2 |
| Compound Number | 12B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H15BCl2N5O11P3S |
| InChI | InChI=1S/C12H20BCl2N5O11P3S/c1-35-11-18-8(16)5-9(19-11)20(3-17-5)10-7(22)6(21)4(30-10)2-29-34(13,28)31-33(26,27)12(14,15)32(23,24)25/h3-4,6-7,10,21-22H,2H2,1,13H3,(H,26,27)(H2,16,18,19)(H2,23,24,25)/q-1/t4-,6-,7-,10-,34?/m1/s1 |
| InChIKey | RVOCLCPVMLJBOS-PFKVCYQRSA-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 | UWMZ46386 |