| SpectraBase Compound ID | 5F9xjcZTLdX |
|---|---|
| InChI | InChI=1S/C30H37N4O20P3/c1-16-12-33(29(39)31-27(16)37)25-10-21(48-18(3)35)23(50-25)14-46-55(41,42)53-57(45,54-56(43,44)52-20-8-6-5-7-9-20)47-15-24-22(49-19(4)36)11-26(51-24)34-13-17(2)28(38)32-30(34)40/h5-9,12-13,21-26H,10-11,14-15H2,1-4H3,(H,41,42)(H,43,44)(H,31,37,39)(H,32,38,40)/t21-,22-,23+,24+,25+,26+,57?/m0/s1 |
| InChIKey | HEBWVLGLRSOOJW-SXYIFFJOSA-N |
| Mol Weight | 866.6 g/mol |
| Molecular Formula | C30H37N4O20P3 |
| Exact Mass | 866.121401 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5K5UaPCRlAe |
|---|---|
| Name | PHOSPHORILATED DITHYMIDILATE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C30H37N4O20P3 |
| InChI | InChI=1S/C30H37N4O20P3/c1-16-12-33(29(39)31-27(16)37)25-10-21(48-18(3)35)23(50-25)14-46-55(41,42)53-57(45,54-56(43,44)52-20-8-6-5-7-9-20)47-15-24-22(49-19(4)36)11-26(51-24)34-13-17(2)28(38)32-30(34)40/h5-9,12-13,21-26H,10-11,14-15H2,1-4H3,(H,41,42)(H,43,44)(H,31,37,39)(H,32,38,40)/t21-,22-,23+,24+,25+,26+,57?/m0/s1 |
| InChIKey | HEBWVLGLRSOOJW-SXYIFFJOSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (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 |