N-(Trifluoroacetyl)-14-thiaadriamycin

2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-pentylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide

Also Known As: N-(Trifluoroacetyl)-14-thiaadriamycin|2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-pentylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide|3,5,12-Trihydroxy-10-methoxy-6,11-dioxo-3-[(pentylsulfanyl)acetyl]-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranoside|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((pentylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Molecular Formula	C34H38F3NO11S
Molecular Weight	725.2118 g/mol
LogP	5.2
Topological Polar Surface Area	214.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	11
Exact Mass	725.2118
Monoisotopic Mass	725.2118
Heavy Atoms	50
Complexity	1270.0

Chemical Identifiers

CAS Number	83291-69-4
SMILES	CCCCCSCC(=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	UKSIKDLLCUABFT-UHFFFAOYSA-N