| SpectraBase Compound ID | 2bUqeXqUR5H |
|---|---|
| InChI | InChI=1S/C29H37N5O15P2/c1-16-12-33(28(38)31-26(16)36)24-9-20(46-18(3)35)22(47-24)15-45-51(42,43)49-21-10-25(34-13-17(2)27(37)32-29(34)39)48-23(21)14-44-50(40,41)30-11-19-7-5-4-6-8-19/h4-8,12-13,20-25H,9-11,14-15H2,1-3H3,(H,42,43)(H2,30,40,41)(H,31,36,38)(H,32,37,39)/p-2/t20-,21-,22+,23+,24+,25+/m0/s1 |
| InChIKey | VIMVUOBGYDPAFA-NCIBGLJCSA-L |
| Mol Weight | 755.6 g/mol |
| Molecular Formula | C29H35N5O15P2 |
| Exact Mass | 755.160489 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CatcSXA71O |
|---|---|
| Name | 3'-O-(3'-O-ACETYLTHYMIDIN-5'-YLPHOSPHORYL)THYMIDIN-5'-BENZYLAMIDOPHOSPHATE, DIANION |
| Comments | , NAME DEFINED |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H35N5O15P2 |
| InChI | InChI=1S/C29H37N5O15P2/c1-16-12-33(28(38)31-26(16)36)24-9-20(46-18(3)35)22(47-24)15-45-51(42,43)49-21-10-25(34-13-17(2)27(37)32-29(34)39)48-23(21)14-44-50(40,41)30-11-19-7-5-4-6-8-19/h4-8,12-13,20-25H,9-11,14-15H2,1-3H3,(H,42,43)(H2,30,40,41)(H,31,36,38)(H,32,37,39)/p-2/t20-,21-,22+,23+,24+,25+/m0/s1 |
| InChIKey | VIMVUOBGYDPAFA-NCIBGLJCSA-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 |