| SpectraBase Compound ID | AEr3Wr7dXif |
|---|---|
| InChI | InChI=1S/C29H38N6O15P2/c1-16-12-34(28(39)30-26(16)37)24-10-20(47-18(3)36)22(48-24)15-46-52(43,44)50-21-11-25(35-13-17(2)27(38)31-29(35)40)49-23(21)14-45-51(41,42)33-8-6-19(7-9-33)32(4)5/h6-9,12-13,20-25H,10-11,14-15H2,1-5H3,(H3-,30,31,37,38,39,40,41,42,43,44)/p-1/t20-,21-,22+,23+,24+,25+/m0/s1 |
| InChIKey | IHHSUAUWGFFTBP-NCIBGLJCSA-M |
| Mol Weight | 771.6 g/mol |
| Molecular Formula | C29H37N6O15P2 |
| Exact Mass | 771.179213 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHRadgGnWKk |
|---|---|
| Name | 3'-O-(3'-O-ACETYLTHYMIDIN-5'-YLPHOSPHORYL)THYMIDIN-5'-(PARA-DIMETHYLAMINOPYRIDYL)PHOSPHATE, ANION, BETAINE |
| Comments | , NAME DEFINED |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H37N6O15P2 |
| InChI | InChI=1S/C29H38N6O15P2/c1-16-12-34(28(39)30-26(16)37)24-10-20(47-18(3)36)22(48-24)15-46-52(43,44)50-21-11-25(35-13-17(2)27(38)31-29(35)40)49-23(21)14-45-51(41,42)33-8-6-19(7-9-33)32(4)5/h6-9,12-13,20-25H,10-11,14-15H2,1-5H3,(H3-,30,31,37,38,39,40,41,42,43,44)/p-1/t20-,21-,22+,23+,24+,25+/m0/s1 |
| InChIKey | IHHSUAUWGFFTBP-NCIBGLJCSA-M |
| 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 |