| SpectraBase Compound ID | IVHBpGp5Mml |
|---|---|
| InChI | InChI=1S/C36H42N6O15P2/c1-21-17-41(35(47)37-33(21)45)31-15-27(53-23(3)43)29(55-31)19-51-58(49,39-25-11-7-5-8-12-25)57-59(50,40-26-13-9-6-10-14-26)52-20-30-28(54-24(4)44)16-32(56-30)42-18-22(2)34(46)38-36(42)48/h5-14,17-18,27-32H,15-16,19-20H2,1-4H3,(H,39,49)(H,40,50)(H,37,45,47)(H,38,46,48)/t27-,28-,29+,30+,31+,32+,58?,59?/m0/s1 |
| InChIKey | XHOJYVOEZQEMCL-AEESIQKCSA-N |
| Mol Weight | 860.7 g/mol |
| Molecular Formula | C36H42N6O15P2 |
| Exact Mass | 860.218339 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LKoehF02iVM |
|---|---|
| Name | P,P'-DIANILIDO-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE(DIASTEREOMER MIXTURE) |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H42N6O15P2 |
| InChI | InChI=1S/C36H42N6O15P2/c1-21-17-41(35(47)37-33(21)45)31-15-27(53-23(3)43)29(55-31)19-51-58(49,39-25-11-7-5-8-12-25)57-59(50,40-26-13-9-6-10-14-26)52-20-30-28(54-24(4)44)16-32(56-30)42-18-22(2)34(46)38-36(42)48/h5-14,17-18,27-32H,15-16,19-20H2,1-4H3,(H,39,49)(H,40,50)(H,37,45,47)(H,38,46,48)/t27-,28-,29+,30+,31+,32+,58?,59?/m0/s1 |
| InChIKey | XHOJYVOEZQEMCL-AEESIQKCSA-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 |