4'-O-Methyldoxorubicin

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

Also Known As: 4'-O-Methyldoxorubicin|ANTINEOPLASTIC-301477|(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-methoxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxy-4-O-methylhexopyranoside|5,12-Naphthacenedione, (10-(3-amino-2,3,6-trideoxy-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-|5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-4-O-methyl-.|A.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-

Molecular Formula	C28H31NO11
Molecular Weight	557.1897 g/mol
LogP	0.66
Topological Polar Surface Area	195.07 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	557.1897
Heavy Atoms	40
Complexity	1393.4

Chemical Identifiers

CAS Number	77121-90-5
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)CO)O)N)OC