Trifluoroacetyladriamycin-14-octanoate

[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] octanoate

Also Known As: TFAAO|Trifluoroacetyladriamycin-14-octanoate|2-Chloro-4-amino-6-cyanopyrimidine|[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] octanoate|2-oxo-2-[2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl octanoate|Octanoic acid, 2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl ester, (2S-cis)-

Molecular Formula	C37H42F3NO13
Molecular Weight	765.2608 g/mol
LogP	5.7
Topological Polar Surface Area	215.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	16
Rotatable Bonds	14
Exact Mass	765.2608
Monoisotopic Mass	765.2608
Heavy Atoms	54
Complexity	1400.0

Chemical Identifiers

CAS Number	73121-99-0
SMILES	CCCCCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O
InChIKey	GBATUGVYYXYNAD-UHFFFAOYSA-N