4'-epi-4'-O-Methyldaunorubicin hydrochloride

(7S,9S)-9-acetyl-7-[(2R,4S,5R,6S)-4-amino-5-methoxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

Also Known As: 4'-epi-4'-O-Methyldaunorubicin hydrochloride|5,12-Naphthacenedione, 8-acetyl-10-((2-amino-2,3,6-trideoxy-4-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-|8-Acetyl-10-((2-amino-2,3,6-trideoxy-4-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride, (8S-cis)-|(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-methyl-alpha-L-arabino-hexopyranoside--hydrogen chloride (1/1)|(7S,9S)-9-acetyl-7-[(2R,4S,5R,6S)-4-amino-5-methoxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride

Molecular Formula	C28H32ClNO10
Molecular Weight	577.17145 g/mol
LogP	2.1048
Topological Polar Surface Area	175.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	577.17145
Monoisotopic Mass	577.17145
Heavy Atoms	40
Complexity	976.0

Chemical Identifiers

CAS Number	69350-35-2
SMILES	C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)OC.Cl
InChIKey	IYBCOWOMVFBROO-NKOOHOBVSA-N