| SpectraBase Compound ID | 9lQQkbpJC3W |
|---|---|
| InChI | InChI=1S/C18H27N8O10P/c19-9-1-3-25(17(30)22-9)15-13(28)11(21)8(36-15)6-34-37(32,33)24-12-7(5-27)35-16(14(12)29)26-4-2-10(20)23-18(26)31/h1-4,7-8,11-16,27-29H,5-6,21H2,(H2,19,22,30)(H2,20,23,31)(H2,24,32,33)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 |
| InChIKey | HXDZXYYEXIVVKT-NCOIDOBVSA-N |
| Mol Weight | 546.43 g/mol |
| Molecular Formula | C18H27N8O10P |
| Exact Mass | 546.158776 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0g9UtcBkUx |
|---|---|
| Name | 5'-(3'-AMINO-3'-DEOXYCYTIDIN-3'-YLPHOSPHORYL)-3'-DEOXY-3'-AMINOCYTIDINE |
| Comments | , SCALE INVERTED! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H27N8O10P |
| InChI | InChI=1S/C18H27N8O10P/c19-9-1-3-25(17(30)22-9)15-13(28)11(21)8(36-15)6-34-37(32,33)24-12-7(5-27)35-16(14(12)29)26-4-2-10(20)23-18(26)31/h1-4,7-8,11-16,27-29H,5-6,21H2,(H2,19,22,30)(H2,20,23,31)(H2,24,32,33)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 |
| InChIKey | HXDZXYYEXIVVKT-NCOIDOBVSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | A.V.AZHAEV, A.M.OZOLS, A.A.KRAEVSKY, N.V.GNUCHEV, B.P.GOTTIKH (1982)Bioorganich.Khim.(Russ. Lang.): v.8, N9, 1218-1224. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O deuterium oxide |