| SpectraBase Compound ID | HUWcHXZW0cH |
|---|---|
| InChI | InChI=1S/C25H33N5O16P2.C5H5N/c1-13-9-29(24(34)27-22(13)32)20-7-16(43-15(3)31)18(44-20)12-42-48(39,40-6-4-5-26)46-17-8-21(45-19(17)11-41-47(36,37)38)30-10-14(2)23(33)28-25(30)35;1-2-4-6-5-3-1/h9-10,16-21H,4,6-8,11-12H2,1-3H3,(H,27,32,34)(H,28,33,35)(H2,36,37,38);1-5H/t16-,17-,18+,19+,20+,21+,48?;/m0./s1 |
| InChIKey | HRPSXALOSIOEHU-STTMQWGMSA-N |
| Mol Weight | 800.6 g/mol |
| Molecular Formula | C30H38N6O16P2 |
| Exact Mass | 800.181953 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4QDgDKDKbuN |
|---|---|
| Name | 3'-O-ACETYL-5'-O-(5'-O-PHOSPHORYLDEOXYTHYMID-3-YLOXY(O-CYANOETHYL)PHOSPHORYL)DEOXYTHYMIDINE, PYRIDINIUM SALT |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H38N6O16P2 |
| InChI | InChI=1S/C25H33N5O16P2.C5H5N/c1-13-9-29(24(34)27-22(13)32)20-7-16(43-15(3)31)18(44-20)12-42-48(39,40-6-4-5-26)46-17-8-21(45-19(17)11-41-47(36,37)38)30-10-14(2)23(33)28-25(30)35;1-2-4-6-5-3-1/h9-10,16-21H,4,6-8,11-12H2,1-3H3,(H,27,32,34)(H,28,33,35)(H2,36,37,38);1-5H/t16-,17-,18+,19+,20+,21+,48?;/m0./s1 |
| InChIKey | HRPSXALOSIOEHU-STTMQWGMSA-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 |