| SpectraBase Compound ID | D0zSKsPtmFu |
|---|---|
| InChI | InChI=1S/C22H30N4O16P2/c1-10-6-25(21(30)23-19(10)28)17-4-13(39-12(3)27)15(40-17)9-38-44(35,36)42-14-5-18(41-16(14)8-37-43(32,33)34)26-7-11(2)20(29)24-22(26)31/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,35,36)(H,23,28,30)(H,24,29,31)(H2,32,33,34)/p-2/t13-,14-,15+,16+,17+,18+/m0/s1 |
| InChIKey | CAOOKXOSYZAQGN-DWMDIXPDSA-L |
| Mol Weight | 666.43 g/mol |
| Molecular Formula | C22H28N4O16P2 |
| Exact Mass | 666.097555 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDDJQi3vFWq |
|---|---|
| Name | 3'-O-(3'-O-ACETYLTHYMIDIN-5'-YLPHOSPHORYL)THYMIDIN-5'-PHOSPHATE,DIANION |
| Comments | , NAME DEFINED |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H28N4O16P2 |
| InChI | InChI=1S/C22H30N4O16P2/c1-10-6-25(21(30)23-19(10)28)17-4-13(39-12(3)27)15(40-17)9-38-44(35,36)42-14-5-18(41-16(14)8-37-43(32,33)34)26-7-11(2)20(29)24-22(26)31/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,35,36)(H,23,28,30)(H,24,29,31)(H2,32,33,34)/p-2/t13-,14-,15+,16+,17+,18+/m0/s1 |
| InChIKey | CAOOKXOSYZAQGN-DWMDIXPDSA-L |
| Instrument Name | Bruker HX-90 |
| Literature Reference | T.S.GODOVIKOVA, V.F.ZARYTOVA, L.M.KHALIMSKAYA (1986) Bioorganich.Khim.(Russ.Lang.): v.12, N4, 475-481. |
| NMR Standard | not reported |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C3H7NO dimethylforma |