AC1L5BJK

4-[6-[[3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile

Also Known As: alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin|10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione|5,12-Naphthacenedione, 10-((3-((R)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-|3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-(3-cyanomorpholin-4-yl)-2,3,6-trideoxyhexopyranoside|4-[6-[[3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile|5, 10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-

Molecular Formula	C32H36N2O12
Molecular Weight	640.2268 g/mol
LogP	1.6
Topological Polar Surface Area	219.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	6
Exact Mass	640.2268
Monoisotopic Mass	640.2268
Heavy Atoms	46
Complexity	1200.0

Chemical Identifiers

CAS Number	89673-78-9
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)N6CCOCC6C#N)O
InChIKey	YWJAFMZFEVIKBM-UHFFFAOYSA-N