Actinomycin D, 2-N-(gamma-hydroxypropyl)-
2-(3-hydroxypropylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Also Known As: 2-N-(gamma-Hydroxypropyl)actinomycin D|Actinomycin D, 2-N-(gamma-hydroxypropyl)-|N2-(3-Hydroxypropyl)actinomycin D|ACTINOMYCIN D, N-(3-HYDROXYPROPYL)-|2-[(3-hydroxypropyl)amino]-4,6-dimethyl-3-oxo-n,n'-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenoxazine-1,9-dicarboxamide|2-(3-hydroxypropylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
| Molecular Formula | C65H92N12O17 |
|---|---|
| Molecular Weight | 1312.6703 g/mol |
| LogP | 0.94 |
| Topological Polar Surface Area | 366.22 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 1312.6703 |
| Heavy Atoms | 94 |
| Complexity | 3495.0 |
Chemical Identifiers
| CAS Number | 57154-63-9 |
|---|---|
| SMILES | CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)NCCCO)C |
Product Overview
Actinomycin D, 2-N-(gamma-hydroxypropyl)- (CAS 57154-63-9), with molecular formula C65H92N12O17 and molecular weight 1312.6703 g/mol. IUPAC: 2-(3-hydroxypropylamino)-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide.
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