| SpectraBase Compound ID | G4LAzHPQyqj |
|---|---|
| InChI | InChI=1S/C20H28N7O18P3.3Na/c1-7-2-26(20(33)25-17(7)32)18-13(30)11(28)8(42-18)3-40-46(34,35)44-48(38,39)45-47(36,37)41-4-9-12(29)14(31)19(43-9)27-6-24-10-15(21)22-5-23-16(10)27;;;/h2,5-6,8-9,11-14,18-19,28-31H,3-4H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33);;;/q;3*+1/p-3/t8-,9+,11-,12+,13-,14+,18-,19+;;;/m1.../s1 |
| InChIKey | QJCPJQFEWGCVFM-GUPYSEBMSA-K |
| Mol Weight | 813.34159384 g/mol |
| Molecular Formula | C20H25N7Na3O18P3 |
| Exact Mass | 813.016201 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cPBfQGBt9w |
|---|---|
| Name | P1-5'-O-ADENOSINE-P3-5'-O-THYMIDINE-TRIPHOSPHATE-SODIUM-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H25N7Na3O18P3 |
| InChI | InChI=1S/C20H28N7O18P3.3Na/c1-7-2-26(20(33)25-17(7)32)18-13(30)11(28)8(42-18)3-40-46(34,35)44-48(38,39)45-47(36,37)41-4-9-12(29)14(31)19(43-9)27-6-24-10-15(21)22-5-23-16(10)27;;;/h2,5-6,8-9,11-14,18-19,28-31H,3-4H2,1H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,22,23)(H,25,32,33);;;/q;3*+1/p-3/t8-,9+,11-,12+,13-,14+,18-,19+;;;/m1.../s1 |
| InChIKey | QJCPJQFEWGCVFM-GUPYSEBMSA-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 | UWLU35005 |