Adriamycin semiquinone free radical

1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,6,11,12-pentahydroxy-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethanone

Also Known As: Adriamycin semiquinone free radical|(8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexapyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11,12-tetrahydro-8-(hydroxyacetyl)-1-methoxy-5-naphthacenyloxy|5-Naphthacenyloxy, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexapyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11,12-tetrahydro-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-|1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,6,11,12-pentahydroxy-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethanone|3,5,6,11,12-Pentahydroxy-3-(hydroxyacetyl)-10-methoxy-1,2,3,4-tetrahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside|DM2

Molecular Formula	C27H31NO11
Molecular Weight	545.1897 g/mol
LogP	2.1
Topological Polar Surface Area	212.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	545.1897
Monoisotopic Mass	545.1897
Heavy Atoms	39
Complexity	894.0

Chemical Identifiers

CAS Number	73025-63-5
SMILES	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C5=C(C(=CC=C5)OC)C(=C4C(=C23)O)O)O)O)(C(=O)CO)O)N)O
InChIKey	HNPNGLGEXIWMNH-UHFFFAOYSA-N