| SpectraBase Compound ID | eIMLzcYhc3 |
|---|---|
| InChI | InChI=1S/C23H29N5O14P2/c1-12-8-27(22(32)25-20(12)30)18-6-14(29)16(39-18)10-37-43(34,36-5-3-4-24)42-44(35)38-11-17-15(41-44)7-19(40-17)28-9-13(2)21(31)26-23(28)33/h8-9,14-19,29H,3,5-7,10-11H2,1-2H3,(H,25,30,32)(H,26,31,33)/t14-,15-,16+,17+,18+,19+,43?,44?/m0/s1 |
| InChIKey | GRUQWHNLDLNPNC-XXTJCVPVSA-N |
| Mol Weight | 661.45 g/mol |
| Molecular Formula | C23H29N5O14P2 |
| Exact Mass | 661.118625 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWQQpxQRowS |
|---|---|
| Name | PHOSPHORYLATED DITHYMIDILATE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C23H29N5O14P2 |
| InChI | InChI=1S/C23H29N5O14P2/c1-12-8-27(22(32)25-20(12)30)18-6-14(29)16(39-18)10-37-43(34,36-5-3-4-24)42-44(35)38-11-17-15(41-44)7-19(40-17)28-9-13(2)21(31)26-23(28)33/h8-9,14-19,29H,3,5-7,10-11H2,1-2H3,(H,25,30,32)(H,26,31,33)/t14-,15-,16+,17+,18+,19+,43?,44?/m0/s1 |
| InChIKey | GRUQWHNLDLNPNC-XXTJCVPVSA-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 |