| SpectraBase Compound ID | 4fXr5DT5M4Y |
|---|---|
| InChI | InChI=1S/C42H46N4O17P2/c1-25-21-45(40(50)43-38(25)48)36-19-32(59-27(3)47)35(61-36)24-58-64(52,53)63-65(54,55)62-33-20-37(46-22-26(2)39(49)44-41(46)51)60-34(33)23-57-42(28-11-7-5-8-12-28,29-13-9-6-10-14-29)30-15-17-31(56-4)18-16-30/h5-18,21-22,32-37H,19-20,23-24H2,1-4H3,(H,52,53)(H,54,55)(H,43,48,50)(H,44,49,51)/t32-,33-,34+,35+,36+,37+/m0/s1 |
| InChIKey | MPVYXUVTZWIDME-SOTIRQLOSA-N |
| Mol Weight | 940.8 g/mol |
| Molecular Formula | C42H46N4O17P2 |
| Exact Mass | 940.23332 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OeIZpfsFq |
|---|---|
| Name | 3'-O-ACETYL-5'-(5'-METHOXYTRITYLDEOXYTHYMIDIN-3'-PYROPHOSPHATOYL)DEOXYTHYMIDINE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H46N4O17P2 |
| InChI | InChI=1S/C42H46N4O17P2/c1-25-21-45(40(50)43-38(25)48)36-19-32(59-27(3)47)35(61-36)24-58-64(52,53)63-65(54,55)62-33-20-37(46-22-26(2)39(49)44-41(46)51)60-34(33)23-57-42(28-11-7-5-8-12-28,29-13-9-6-10-14-29)30-15-17-31(56-4)18-16-30/h5-18,21-22,32-37H,19-20,23-24H2,1-4H3,(H,52,53)(H,54,55)(H,43,48,50)(H,44,49,51)/t32-,33-,34+,35+,36+,37+/m0/s1 |
| InChIKey | MPVYXUVTZWIDME-SOTIRQLOSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C5H5N pyridine |