| SpectraBase Compound ID | 2P0ZeoGlVkd |
|---|---|
| InChI | InChI=1S/C17H27N5O15P2.2C6H15N/c18-14-10-15(20-4-19-14)22(5-21-10)16-13(28)12(27)9(34-16)3-33-38(29,30)37-39(31,32)36-17-11(26)6(24)1-8(35-17)7(25)2-23;2*1-4-7(5-2)6-3/h4-9,11-13,16-17,23-28H,1-3H2,(H,29,30)(H,31,32)(H2,18,19,20);2*4-6H2,1-3H3/t6-,7+,8-,9+,11-,12+,13+,16+,17-;;/m1../s1 |
| InChIKey | OJZYBQPDIGPXKU-QPOUPUKTSA-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 | 1FarF1meSme |
|---|---|
| Name | ADENOSINE-5'-(4-DEOXY-ALPHA-L-GULO-HEPTOPYRANOSYL_DIPHOSPHATE)-BIS-(TRIETHYLAMINE)-SALT |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H57N7O15P2 |
| InChI | InChI=1S/C17H27N5O15P2.2C6H15N/c18-14-10-15(20-4-19-14)22(5-21-10)16-13(28)12(27)9(34-16)3-33-38(29,30)37-39(31,32)36-17-11(26)6(24)1-8(35-17)7(25)2-23;2*1-4-7(5-2)6-3/h4-9,11-13,16-17,23-28H,1-3H2,(H,29,30)(H,31,32)(H2,18,19,20);2*4-6H2,1-3H3/t6-,7+,8-,9+,11-,12+,13+,16+,17-;;/m1../s1 |
| InChIKey | OJZYBQPDIGPXKU-QPOUPUKTSA-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 | UWMZ24473 |