| SpectraBase Compound ID | 1br48TpI5rb |
|---|---|
| InChI | InChI=1S/C28H36N4O15P2/c1-14-5-6-18(7-14)48(38,39)42-12-22-20(9-24(46-22)32-11-16(3)26(35)30-28(32)37)47-49(40,41)43-13-21-19(44-17(4)33)8-23(45-21)31-10-15(2)25(34)29-27(31)36/h5-7,10-11,18-24H,8-9,12-13H2,1-4H3,(H,38,39)(H,40,41)(H,29,34,36)(H,30,35,37)/q+1/p-2/t18?,19-,20-,21+,22+,23+,24+/m0/s1 |
| InChIKey | RVHOKUHMVMZUDJ-SCQOJACTSA-L |
| Mol Weight | 728.5 g/mol |
| Molecular Formula | C28H34N4O15P2 |
| Exact Mass | 728.14959 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7DANUB8KMN |
|---|---|
| Name | 3'-O-(3'-O-ACETYLTHYMIDIN-5'-YLPHOSPHORYL)THYMIDIN-5'-(3-METHYLIMIDAZOLYL)PHOSPHATE, ANION, BETAINE |
| Comments | , NAME DEFINED |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H35N4O15P2 |
| InChI | InChI=1S/C28H36N4O15P2/c1-14-5-6-18(7-14)48(38,39)42-12-22-20(9-24(46-22)32-11-16(3)26(35)30-28(32)37)47-49(40,41)43-13-21-19(44-17(4)33)8-23(45-21)31-10-15(2)25(34)29-27(31)36/h5-7,10-11,18-24H,8-9,12-13H2,1-4H3,(H,38,39)(H,40,41)(H,29,34,36)(H,30,35,37)/q+1/p-2/t18?,19-,20-,21+,22+,23+,24+/m0/s1 |
| InChIKey | RVHOKUHMVMZUDJ-SCQOJACTSA-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 |