| SpectraBase Compound ID | BHcQ6KSoSqF |
|---|---|
| InChI | InChI=1S/C10H18BN5O12P3/c11-29(19,27-31(23,24)28-30(20,21)22)25-1-4-6(17)7(18)10(26-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H,23,24)(H2,12,13,14)(H2,20,21,22)/q-1/p-3/t4-,6-,7-,10-,29?/m0/s1 |
| InChIKey | AOVKXBSIZAGYJL-KAASYALXSA-K |
| Mol Weight | 499.0 g/mol |
| Molecular Formula | C10H13BN5O12P3 |
| Exact Mass | 498.986662 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J0IcG40tSwi |
|---|---|
| Name | ADENOSINE-5'-(ALPHA-P-BORANO)-TRIPHOSPHATE |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C10H13BN5O12P3 |
| InChI | InChI=1S/C10H18BN5O12P3/c11-29(19,27-31(23,24)28-30(20,21)22)25-1-4-6(17)7(18)10(26-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H,23,24)(H2,12,13,14)(H2,20,21,22)/q-1/p-3/t4-,6-,7-,10-,29?/m0/s1 |
| InChIKey | AOVKXBSIZAGYJL-KAASYALXSA-K |
| Literature Reference Author | K.HE,A.HASAN,B.KRZYZANOWSKA,B.R.SHAW |
| Literature Reference Citation | J.ORG.CHEM.,63,5769(1998) |
| Literature Reference DOI | 10.1021/jo972002g |
| Solvent | D2O |
| Source File Reference | UWSI28689 |