| SpectraBase Compound ID | 7LbKUpIl7YX |
|---|---|
| InChI | InChI=1S/C30H38N6O17P2/c1-17-13-35(29(41)33-27(17)39)25-11-21(49-19(3)37)23(51-25)15-47-54(43,45-9-5-7-31)53-55(44,46-10-6-8-32)48-16-24-22(50-20(4)38)12-26(52-24)36-14-18(2)28(40)34-30(36)42/h13-14,21-26H,5-6,9-12,15-16H2,1-4H3,(H,33,39,41)(H,34,40,42)/t21-,22-,23+,24+,25+,26+,54?,55?/m0/s1 |
| InChIKey | LGYXDLHCYRNMEO-DNBGOAJLSA-N |
| Mol Weight | 816.6 g/mol |
| Molecular Formula | C30H38N6O17P2 |
| Exact Mass | 816.176868 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZsA65c39z6 |
|---|---|
| Name | P,P'-DI(CYANOETHYL)-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H38N6O17P2 |
| InChI | InChI=1S/C30H38N6O17P2/c1-17-13-35(29(41)33-27(17)39)25-11-21(49-19(3)37)23(51-25)15-47-54(43,45-9-5-7-31)53-55(44,46-10-6-8-32)48-16-24-22(50-20(4)38)12-26(52-24)36-14-18(2)28(40)34-30(36)42/h13-14,21-26H,5-6,9-12,15-16H2,1-4H3,(H,33,39,41)(H,34,40,42)/t21-,22-,23+,24+,25+,26+,54?,55?/m0/s1 |
| InChIKey | LGYXDLHCYRNMEO-DNBGOAJLSA-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 |