| SpectraBase Compound ID | 8mFSZ65RIPX |
|---|---|
| InChI | InChI=1S/C20H27N10O16P3.3Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)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)(H2,21,23,25)(H2,22,24,26);;;/q;3*+1/p-3/t7-,8+,11-,12+,13-,14+,19-,20+;;; |
| InChIKey | KLGXLKOLVMIYPW-JWJGERNTSA-K |
| Mol Weight | 822.35659384 g/mol |
| Molecular Formula | C20H24N10Na3O16P3 |
| Exact Mass | 822.027769 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ADMc9c845a |
|---|---|
| Name | P1,P3-DIADENOSINE-5'-TRIPHOSPHATE-SODIUM-SALT |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H24N10Na3O16P3 |
| InChI | InChI=1S/C20H27N10O16P3.3Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)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)(H2,21,23,25)(H2,22,24,26);;;/q;3*+1/p-3/t7-,8+,11-,12+,13-,14+,19-,20+;;; |
| InChIKey | KLGXLKOLVMIYPW-JWJGERNTSA-K |
| 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 | UWLU35001 |