| SpectraBase Compound ID | 6Ggs97dChtI |
|---|---|
| InChI | InChI=1S/C36H40N4O17P2/c1-21-17-39(35(45)37-33(21)43)31-15-27(51-23(3)41)29(53-31)19-49-58(47,55-25-11-7-5-8-12-25)57-59(48,56-26-13-9-6-10-14-26)50-20-30-28(52-24(4)42)16-32(54-30)40-18-22(2)34(44)38-36(40)46/h5-14,17-18,27-32H,15-16,19-20H2,1-4H3,(H,37,43,45)(H,38,44,46)/t27-,28-,29+,30+,31+,32+,58?,59?/m0/s1 |
| InChIKey | DTZFTLPFPRDZNS-AEESIQKCSA-N |
| Mol Weight | 862.7 g/mol |
| Molecular Formula | C36H40N4O17P2 |
| Exact Mass | 862.18637 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3w0xyo0yuu |
|---|---|
| Name | P,P'-DIPHENYL-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 | C36H40N4O17P2 |
| InChI | InChI=1S/C36H40N4O17P2/c1-21-17-39(35(45)37-33(21)43)31-15-27(51-23(3)41)29(53-31)19-49-58(47,55-25-11-7-5-8-12-25)57-59(48,56-26-13-9-6-10-14-26)50-20-30-28(52-24(4)42)16-32(54-30)40-18-22(2)34(44)38-36(40)46/h5-14,17-18,27-32H,15-16,19-20H2,1-4H3,(H,37,43,45)(H,38,44,46)/t27-,28-,29+,30+,31+,32+,58?,59?/m0/s1 |
| InChIKey | DTZFTLPFPRDZNS-AEESIQKCSA-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 | CH2Cl2 methylene chl |