| SpectraBase Compound ID | ALramcQkWYs |
|---|---|
| InChI | InChI=1S/C20H28N10O19P4.4Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30;;;;/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-;;;;/m0..../s1 |
| InChIKey | AEKUYZAXZXNHEF-JCZUEQRFSA-J |
| Mol Weight | 924.31712512 g/mol |
| Molecular Formula | C20H24N10Na4O19P4 |
| Exact Mass | 923.976044 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xi1r4fsLDN |
|---|---|
| Name | P1,P4-DIADENOSINE-5'-TETRAPHOSPHATE-SODIUM-SALT |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H24N10Na4O19P4 |
| InChI | InChI=1S/C20H28N10O19P4.4Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30;;;;/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,19-,20-;;;;/m0..../s1 |
| InChIKey | AEKUYZAXZXNHEF-JCZUEQRFSA-J |
| Literature Reference Author | K.HUANG,P.A.FREY |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,9548(2004) |
| Literature Reference DOI | 10.1021/ja0400640 |
| Solvent | D2O |
| Source File Reference | UWLU35006 |