| SpectraBase Compound ID | DR2MhY1AdLC |
|---|---|
| InChI | InChI=1S/C19H27N8O17P3.3Na/c20-9-1-2-26(19(32)25-9)17-13(30)11(28)7(41-17)3-39-45(33,34)43-47(37,38)44-46(35,36)40-4-8-12(29)14(31)18(42-8)27-6-24-10-15(21)22-5-23-16(10)27;;;/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H,35,36)(H,37,38)(H2,20,25,32)(H2,21,22,23);;;/q;3*+1/p-3/t7-,8+,11-,12+,13-,14+,17-,18+;;;/m1.../s1 |
| InChIKey | XCJFPWGZFRBMJY-UIKOPCTLSA-K |
| Mol Weight | 798.33059384 g/mol |
| Molecular Formula | C19H24N8Na3O17P3 |
| Exact Mass | 798.016535 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsPkupDJVi7 |
|---|---|
| Name | P1-5'-O-ADENOSINE-P3-5'-O-CYTIDINE-TRIPHOSPHATE-SODIUM-SALT |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H24N8Na3O17P3 |
| InChI | InChI=1S/C19H27N8O17P3.3Na/c20-9-1-2-26(19(32)25-9)17-13(30)11(28)7(41-17)3-39-45(33,34)43-47(37,38)44-46(35,36)40-4-8-12(29)14(31)18(42-8)27-6-24-10-15(21)22-5-23-16(10)27;;;/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H,35,36)(H,37,38)(H2,20,25,32)(H2,21,22,23);;;/q;3*+1/p-3/t7-,8+,11-,12+,13-,14+,17-,18+;;;/m1.../s1 |
| InChIKey | XCJFPWGZFRBMJY-UIKOPCTLSA-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 | UWLU35004 |