Maytanacine
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] acetate
Also Known As: MAYTANACINE|Ansamitocin P 1|ansamitocin P1|Maytansine, O3-acetyl-O3-de(2-(acetylmethylamino)-1-oxopropyl)-|Maytansine, O3-acetyl-O3-de[2-(acetylmethylamino)-1-oxopropyl]-|(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl acetate|4,24-Dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosane, maytansine deriv.|5IJ
| Molecular Formula | C30H39ClN2O9 |
|---|---|
| Molecular Weight | 606.23444 g/mol |
| LogP | 3.6875 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 606.23444 |
| Monoisotopic Mass | 606.23444 |
| Heavy Atoms | 42 |
| Complexity | 1299.5669 |
Chemical Identifiers
| CAS Number | 57103-69-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C)C)\C)OC)(NC(=O)O2)O |
Product Overview
Maytanacine (CAS 57103-69-2), with molecular formula C30H39ClN2O9 and molecular weight 606.23444 g/mol. IUPAC: [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] acetate.
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