![2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHOROTHIOAMIDATE]](/api/spectrum/jDFX9DmiOH/structure.png?h=300&w=458 "2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHOROTHIOAMIDATE]")
| SpectraBase Compound ID | EpZmA4bEZg4 |
|---|---|
| InChI | InChI=1S/C37H32N7O9PS/c38-18-10-20-49-54(55,50-21-11-19-39)43-32-29-33(41-23-40-32)44(24-42-29)34-31(53-37(47)27-16-8-3-9-17-27)30(52-36(46)26-14-6-2-7-15-26)28(51-34)22-48-35(45)25-12-4-1-5-13-25/h1-9,12-17,23-24,28,30-31,34H,10-11,20-22H2,(H,40,41,43,55)/t28-,30-,31-,34-/m0/s1 |
| InChIKey | VXXZSJQNSKZEIA-JSRYUEOTSA-N |
| Mol Weight | 781.7 g/mol |
| Molecular Formula | C37H32N7O9PS |
| Exact Mass | 781.171984 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jDFX9DmiOH |
|---|---|
| Name | 2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHOROTHIOAMIDATE] |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H32N7O9PS |
| InChI | InChI=1S/C37H32N7O9PS/c38-18-10-20-49-54(55,50-21-11-19-39)43-32-29-33(41-23-40-32)44(24-42-29)34-31(53-37(47)27-16-8-3-9-17-27)30(52-36(46)26-14-6-2-7-15-26)28(51-34)22-48-35(45)25-12-4-1-5-13-25/h1-9,12-17,23-24,28,30-31,34H,10-11,20-22H2,(H,40,41,43,55)/t28-,30-,31-,34-/m0/s1 |
| InChIKey | VXXZSJQNSKZEIA-JSRYUEOTSA-N |
| Literature Reference Author | T.WADA,T.MORIGUCHI,M.SEKINE |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,9901(1994) |
| Literature Reference DOI | 10.1021/ja00101a011 |
| Solvent | CDCl3 |
| Source File Reference | UWSI783 |