SpectraBase Compound ID | BJOCEdNw3FQ |
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InChI | InChI=1S/C22H30N4O16P2.2C5H5N/c1-10-6-25(21(30)23-19(10)28)17-4-13(39-12(3)27)15(40-17)9-38-44(35,36)42-14-5-18(41-16(14)8-37-43(32,33)34)26-7-11(2)20(29)24-22(26)31;2*1-2-4-6-5-3-1/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,35,36)(H,23,28,30)(H,24,29,31)(H2,32,33,34);2*1-5H/t13-,14-,15+,16+,17+,18+;;/m0../s1 |
InChIKey | WSSKLJLYWDQOSW-GNZMVSIHSA-N |
Mol Weight | 826.65 g/mol |
Molecular Formula | C32H40N6O16P2 |
Exact Mass | 826.197603 g/mol |
SpectraBase Spectrum ID | DBY1gJVerc |
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Name | 3'-O-ACETYL-5'-O-(5'-O-PHOSPHORYLDEOXYTHYMID-3-YLOXYPHOSPHORYL)DEOXYTHYMIDINE, DIPYRIDINIUM 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 | C32H40N6O16P2 |
InChI | InChI=1S/C22H30N4O16P2.2C5H5N/c1-10-6-25(21(30)23-19(10)28)17-4-13(39-12(3)27)15(40-17)9-38-44(35,36)42-14-5-18(41-16(14)8-37-43(32,33)34)26-7-11(2)20(29)24-22(26)31;2*1-2-4-6-5-3-1/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,35,36)(H,23,28,30)(H,24,29,31)(H2,32,33,34);2*1-5H/t13-,14-,15+,16+,17+,18+;;/m0../s1 |
InChIKey | WSSKLJLYWDQOSW-GNZMVSIHSA-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 | C3H7NO dimethylforma |