| SpectraBase Compound ID | B9xdLK1FTSB |
|---|---|
| InChI | InChI=1S/C28H36N6O16P2/c1-16-12-33(27(38)31-25(16)36)23-10-19(47-18(3)35)21(48-23)14-45-51(40,41)50-20-11-24(34-13-17(2)26(37)32-28(34)39)49-22(20)15-46-52(42,43-8-4-6-29)44-9-5-7-30/h12-13,19-24H,4-5,8-11,14-15H2,1-3H3,(H,40,41)(H,31,36,38)(H,32,37,39)/t19-,20-,21+,22+,23+,24+/m0/s1 |
| InChIKey | PQRFVJDTZHNHFW-ZJCHSKCTSA-N |
| Mol Weight | 774.6 g/mol |
| Molecular Formula | C28H36N6O16P2 |
| Exact Mass | 774.166303 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRkin1bMO0B |
|---|---|
| Name | 3'-O-ACETYL-5'-(5'-BIS(CYANOETHOXY)PHOSPHORYLDEOXYTHYMID-3-YLOXYPHOSPHORYL)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 | C28H36N6O16P2 |
| InChI | InChI=1S/C28H36N6O16P2/c1-16-12-33(27(38)31-25(16)36)23-10-19(47-18(3)35)21(48-23)14-45-51(40,41)50-20-11-24(34-13-17(2)26(37)32-28(34)39)49-22(20)15-46-52(42,43-8-4-6-29)44-9-5-7-30/h12-13,19-24H,4-5,8-11,14-15H2,1-3H3,(H,40,41)(H,31,36,38)(H,32,37,39)/t19-,20-,21+,22+,23+,24+/m0/s1 |
| InChIKey | PQRFVJDTZHNHFW-ZJCHSKCTSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (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 |