Vincamine adenylate
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Also Known As: Vincamine adenylate|Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3alpha,14beta,16alpha)-, mono-5'-adenylate (salt)|Methyl 14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate--9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine (1/1)|Methyl 14beta-hydroxy-3alpha,16alpha-14,15-dihydroeburnamenine-14alpha-carboxylate--5'-adenylic acid (1/1)
| Molecular Formula | C31H40N7O10P |
|---|---|
| Molecular Weight | 701.25745 g/mol |
| LogP | 1.0895 |
| Topological Polar Surface Area | 240.77 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 701.25745 |
| Monoisotopic Mass | 701.25745 |
| Heavy Atoms | 49 |
| Complexity | 1948.0204 |
Chemical Identifiers
| CAS Number | 66053-00-7 |
|---|---|
| SMILES | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
Product Overview
Vincamine adenylate (CAS 66053-00-7), with molecular formula C31H40N7O10P and molecular weight 701.25745 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate.
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