HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-15,21-dihydroxy-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] 2-[methyl(2-methylpropanoyl)amino]propanoate
Colubrinol · N2'-Deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)maytansine · Maytansine, N2'-deacetyl-15-hydroxy-N2'-(2-methyl-1-oxopropyl)- (9CI)
![Molekülstruktur von [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-15,21-dihydroxy-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] 2-[methyl(2-methylpropanoyl)amino]propanoate](/img/chemical/6438457.png)
Identifikatoren & physikalische Daten
| CAS No. | 50657-33-5 |
|---|---|
| Summenformel | C36H50ClN3O11 |
| Durchschnittliche Molmasse | 736,2 g/mol |
| Monoisotopische Masse | 735,3133871 g/mol |
| SMILES | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)N(C)C(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2O |
| InChIKey | CJFMMFRLGXTVGK-SZFRVYISSA-N |
| PubChem CID | 6438457 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 177 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 51 |
| Formalladung | 0 |
| Komplexität | 1.380 |
| Siedepunkt | 931.7±65.0 °C(Predicted) |
| Dichte | 1.32±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 9.87±0.70(Predicted) |