| SpectraBase Compound ID | 9OVtI9zLFma |
|---|---|
| InChI | InChI=1S/C27H35N5O17P2/c1-14-10-31(26(37)29-24(14)35)22-8-18(45-16(3)33)20(47-22)12-43-50(39,40)49-51(41,42-7-5-6-28)44-13-21-19(46-17(4)34)9-23(48-21)32-11-15(2)25(36)30-27(32)38/h10-11,18-23H,5,7-9,12-13H2,1-4H3,(H,39,40)(H,29,35,37)(H,30,36,38)/t18-,19-,20+,21+,22+,23+,51?/m0/s1 |
| InChIKey | CYBIYAZLWTYVBC-VDJMLDBMSA-N |
| Mol Weight | 763.5 g/mol |
| Molecular Formula | C27H35N5O17P2 |
| Exact Mass | 763.150319 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dh4V85h0AYa |
|---|---|
| Name | P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)-P-CYANOETHYLPYROPHOSPHATE |
| Comments | , -11:-13 - RANGE. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C27H35N5O17P2 |
| InChI | InChI=1S/C27H35N5O17P2/c1-14-10-31(26(37)29-24(14)35)22-8-18(45-16(3)33)20(47-22)12-43-50(39,40)49-51(41,42-7-5-6-28)44-13-21-19(46-17(4)34)9-23(48-21)32-11-15(2)25(36)30-27(32)38/h10-11,18-23H,5,7-9,12-13H2,1-4H3,(H,39,40)(H,29,35,37)(H,30,36,38)/t18-,19-,20+,21+,22+,23+,51?/m0/s1 |
| InChIKey | CYBIYAZLWTYVBC-VDJMLDBMSA-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 |