AC1L4I19

9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: NCI60_013157|5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-|3'-Deamino-3'-(4-morpholinyl)-13-dihydro-adriamycin hydrocholoridedihydrate|3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(morpholin-4-yl)hexopyranoside|3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-morpholin-4-ylhexopyranoside|9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-morpholino-tetrahydropyran-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Molecular Formula	C31H37NO12
Molecular Weight	615.23157 g/mol
LogP	1.9
Topological Polar Surface Area	196.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	13
Rotatable Bonds	6
Exact Mass	615.23157
Monoisotopic Mass	615.23157
Heavy Atoms	44
Complexity	1060.0

Chemical Identifiers

CAS Number	80875-73-6
SMILES	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)N6CCOCC6)O
InChIKey	LAQMBRIZZQWTGQ-UHFFFAOYSA-N