![2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHORAMIDATE]](/api/spectrum/81bXpy708iW/structure.png?h=300&w=458 "2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHORAMIDATE]")
| SpectraBase Compound ID | 3VvAeERjuJM |
|---|---|
| InChI | InChI=1S/2C37H32N7O10P/c2*38-18-10-20-50-55(48,51-21-11-19-39)43-32-29-33(41-23-40-32)44(24-42-29)34-31(54-37(47)27-16-8-3-9-17-27)30(53-36(46)26-14-6-2-7-15-26)28(52-34)22-49-35(45)25-12-4-1-5-13-25/h2*1-9,12-17,23-24,28,30-31,34H,10-11,20-22H2,(H,40,41,43,48)/t2*28-,30-,31-,34-/m00/s1 |
| InChIKey | LFPJNXCNPJJLBF-MWPRTVHSSA-N |
| Mol Weight | 1531.4 g/mol |
| Molecular Formula | C74H64N14O20P2 |
| Exact Mass | 1530.389654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81bXpy708iW |
|---|---|
| Name | 2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[O,O-BIS-(2-CYANOETHYL)-PHOSPHORAMIDATE] |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H64N14O20P2 |
| InChI | InChI=1S/2C37H32N7O10P/c2*38-18-10-20-50-55(48,51-21-11-19-39)43-32-29-33(41-23-40-32)44(24-42-29)34-31(54-37(47)27-16-8-3-9-17-27)30(53-36(46)26-14-6-2-7-15-26)28(52-34)22-49-35(45)25-12-4-1-5-13-25/h2*1-9,12-17,23-24,28,30-31,34H,10-11,20-22H2,(H,40,41,43,48)/t2*28-,30-,31-,34-/m00/s1 |
| InChIKey | LFPJNXCNPJJLBF-MWPRTVHSSA-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 |
| Molecular Weight | 1531.351 g/mol |
| Solvent | CDCl3 |