Actinomycin D, 8-amino-7-hydroxy- structure

Actinomycin D, 8-amino-7-hydroxy-

2,8-diamino-3-hydroxy-4,6-dimethyl-7-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: Actinomycin D, 8-amino-7-hydroxy-|2,8-diamino-3-hydroxy-4,6-dimethyl-7-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

CAS: 95045-12-8
Molecular Formula C62H87N13O17
Molecular Weight 1285.6343 g/mol
LogP 3.3
Topological Polar Surface Area 402.0 Ų
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 20
Rotatable Bonds 8
Exact Mass 1285.6343
Monoisotopic Mass 1285.6343
Heavy Atoms 92
Complexity 3110.0

Chemical Identifiers

CAS Number 95045-12-8
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=C(C(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)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)C)O)N
InChIKey VWOCNFIGQGBJNQ-UHFFFAOYSA-N

Product Overview

Actinomycin D, 8-amino-7-hydroxy- (CAS 95045-12-8), with molecular formula C62H87N13O17 and molecular weight 1285.6343 g/mol. IUPAC: 2,8-diamino-3-hydroxy-4,6-dimethyl-7-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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