| SpectraBase Compound ID | ArHkEzqpGTi |
|---|---|
| InChI | InChI=1S/C42H47N4O13PS/c1-25-21-45(40(50)43-38(25)48)36-19-32(47)34(57-36)24-56-60(61,54-5)59-33-20-37(46-22-26(2)39(49)44-41(46)51)58-35(33)23-55-42(27-9-7-6-8-10-27,28-11-15-30(52-3)16-12-28)29-13-17-31(53-4)18-14-29/h6-18,21-22,32-37,47H,19-20,23-24H2,1-5H3,(H,43,48,50)(H,44,49,51)/t32-,33+,34+,35-,36+,37-,60?/m1/s1 |
| InChIKey | BCGNWZBGESCBGH-JNVSXYDHSA-N |
| Mol Weight | 878.9 g/mol |
| Molecular Formula | C42H47N4O13PS |
| Exact Mass | 878.259796 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvVDad35Gu6 |
|---|---|
| Name | (R(P))-5'-O-(PARA,PARA'-DIMETHOXYTRITYL)-THYMIDIN-3'-YL-METHYL-THYMIDIN-5'-YL-PHOSPHOROTHIOATE |
| Compound Number | 1 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H47N4O13PS |
| InChI | InChI=1S/C42H47N4O13PS/c1-25-21-45(40(50)43-38(25)48)36-19-32(47)34(57-36)24-56-60(61,54-5)59-33-20-37(46-22-26(2)39(49)44-41(46)51)58-35(33)23-55-42(27-9-7-6-8-10-27,28-11-15-30(52-3)16-12-28)29-13-17-31(53-4)18-14-29/h6-18,21-22,32-37,47H,19-20,23-24H2,1-5H3,(H,43,48,50)(H,44,49,51)/t32-,33+,34+,35-,36+,37-,60?/m1/s1 |
| InChIKey | BCGNWZBGESCBGH-JNVSXYDHSA-N |
| Literature Reference Author | Y.HAYAKAWA,Y.HIRABAYASHI,M.HYODO,S.YAMASHITA,T.MATSUNAMI,D.M .CUI,R.KAWAI,H.KODAM |
| Literature Reference Citation | EUR.J.ORG.CHEM.,3834(2006) |
| Solvent | CDCl3 |
| Source File Reference | UWSI32290 |