| SpectraBase Compound ID | D3PIMgvdQUy |
|---|---|
| InChI | InChI=1S/C11H19N2O16P3.3C6H15N/c1-4-2-13(11(18)12-9(4)17)10-8(16)7(15)6(14)5(27-10)3-26-31(22,23)29-32(24,25)28-30(19,20)21;3*1-4-7(5-2)6-3/h2,5-8,10,14-16H,3H2,1H3,(H,22,23)(H,24,25)(H,12,17,18)(H2,19,20,21);3*4-6H2,1-3H3/t5-,6-,7+,8-,10-;;;/m1.../s1 |
| InChIKey | CYXWVTFHKKTFLB-YZYRZUROSA-N |
| Mol Weight | 831.77 g/mol |
| Molecular Formula | C29H64N5O16P3 |
| Exact Mass | 831.356092 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbPiYeQJPnA |
|---|---|
| Name | (BETA-D-GLUCOPYRANOSIDE)-THYMINE-6'-TRIPHOSPHATE:TRIETHYLAMMONIUM |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H63N5O16P3 |
| InChI | InChI=1S/C11H19N2O16P3.3C6H15N/c1-4-2-13(11(18)12-9(4)17)10-8(16)7(15)6(14)5(27-10)3-26-31(22,23)29-32(24,25)28-30(19,20)21;3*1-4-7(5-2)6-3/h2,5-8,10,14-16H,3H2,1H3,(H,22,23)(H,24,25)(H,12,17,18)(H2,19,20,21);3*4-6H2,1-3H3/t5-,6-,7+,8-,10-;;;/m1.../s1 |
| InChIKey | CYXWVTFHKKTFLB-YZYRZUROSA-N |
| Literature Reference Author | J.HUCHTING,C.MEIER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3423(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402047 |
| Solvent | D2O |
| Source File Reference | UWIR19664 |