| SpectraBase Compound ID | 8K82msym3ok |
|---|---|
| InChI | InChI=1S/C17H27N5O15P2.2C6H15N/c1-5(23)13-10(26)9(25)12(28)17(35-13)36-39(31,32)37-38(29,30)33-2-6-8(24)11(27)16(34-6)22-4-21-7-14(18)19-3-20-15(7)22;2*1-4-7(5-2)6-3/h3-6,8-13,16-17,23-28H,2H2,1H3,(H,29,30)(H,31,32)(H2,18,19,20);2*4-6H2,1-3H3/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17+;;/m0../s1 |
| InChIKey | UFDKLFKGJLQTJS-ORSZHTPZSA-N |
| Mol Weight | 805.76 g/mol |
| Molecular Formula | C29H57N7O15P2 |
| Exact Mass | 805.338788 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dih3V0edD9I |
|---|---|
| Name | ADENOSINE-5'-(7-DEOXY-L-GLYCERO-BETA-D-MANNO-HEPTOPYRANOSYL_DIPHOSPHATE)-BIS-(TRIETHYLAMINE)-SALT |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H57N7O15P2 |
| InChI | InChI=1S/C17H27N5O15P2.2C6H15N/c1-5(23)13-10(26)9(25)12(28)17(35-13)36-39(31,32)37-38(29,30)33-2-6-8(24)11(27)16(34-6)22-4-21-7-14(18)19-3-20-15(7)22;2*1-4-7(5-2)6-3/h3-6,8-13,16-17,23-28H,2H2,1H3,(H,29,30)(H,31,32)(H2,18,19,20);2*4-6H2,1-3H3/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17+;;/m0../s1 |
| InChIKey | UFDKLFKGJLQTJS-ORSZHTPZSA-N |
| Literature Reference Author | J.A.READ,R.A.AHMED,J.P.MORRISON,W.G.COLEMAN,M.E.TANNER |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,8878(2004) |
| Literature Reference DOI | 10.1021/ja0485659 |
| Solvent | D2O |
| Source File Reference | UWMZ24472 |