| SpectraBase Compound ID | BMI9SVi9mC2 |
|---|---|
| InChI | InChI=1S/C25H33N5O16P2/c1-13-9-29(24(34)27-22(13)32)20-7-16(43-15(3)31)18(44-20)11-42-48(38,39)46-17-8-21(30-10-14(2)23(33)28-25(30)35)45-19(17)12-41-47(36,37)40-6-4-5-26/h9-10,16-21H,4,6-8,11-12H2,1-3H3,(H,36,37)(H,38,39)(H,27,32,34)(H,28,33,35)/t16-,17-,18+,19+,20+,21+/m0/s1 |
| InChIKey | SJTRZUOCUURSPR-FLNLFJTMSA-N |
| Mol Weight | 721.5 g/mol |
| Molecular Formula | C25H33N5O16P2 |
| Exact Mass | 721.139754 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EyJabfR9UQv |
|---|---|
| Name | 3'-O-ACETYL-5'-(5'-CYANOETHOXYPHOSPHORYLDEOXYTHYMID-3-YLOXYPHOSPHORYL)DEOXYTHYMIDINE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C25H33N5O16P2 |
| InChI | InChI=1S/C25H33N5O16P2/c1-13-9-29(24(34)27-22(13)32)20-7-16(43-15(3)31)18(44-20)11-42-48(38,39)46-17-8-21(30-10-14(2)23(33)28-25(30)35)45-19(17)12-41-47(36,37)40-6-4-5-26/h9-10,16-21H,4,6-8,11-12H2,1-3H3,(H,36,37)(H,38,39)(H,27,32,34)(H,28,33,35)/t16-,17-,18+,19+,20+,21+/m0/s1 |
| InChIKey | SJTRZUOCUURSPR-FLNLFJTMSA-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 |