| SpectraBase Compound ID | E9qstJp5nKx |
|---|---|
| InChI | InChI=1S/C10H17BN5O9P2/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H2,12,13,14)(H2,20,21,22)/q-1/p-2/t4-,6-,7-,10-,26?/m0/s1 |
| InChIKey | PABGEACFCMYPQE-SKULRORNSA-L |
| Mol Weight | 420.0 g/mol |
| Molecular Formula | C10H13BN5O9P2 |
| Exact Mass | 420.028156 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCPTQ1RQthv |
|---|---|
| Name | ADENOSINE-5'-P-(ALPHA)-BORANODIPHOSPHATE;S-(P)-ISOMER |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C10H13BN5O9P2 |
| InChI | InChI=1S/C10H17BN5O9P2/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H2,12,13,14)(H2,20,21,22)/q-1/p-2/t4-,6-,7-,10-,26?/m0/s1 |
| InChIKey | PABGEACFCMYPQE-SKULRORNSA-L |
| Literature Reference Author | P.LI,B.R.SHAW |
| Literature Reference Citation | J.ORG.CHEM.,69,7051(2004) |
| Literature Reference DOI | 10.1021/jo049094b |
| Solvent | D2O |
| Source File Reference | UWVN22521 |