Trifluoroacetyldaunomycin

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

Also Known As: Trifluoroacetyldaunomycin|Epirubicin Impurity 10|EINECS 261-015-8|N-(Trifluoroacetyl)daunorubicin|N-trifluoroacetyl-4'-epirubicin|Daunorubicin, N-(trifluoro-acetyl)-|4-Epi-N-trifluoroacetyldaunorubicin|4'epi-N-trifluoroacetyl-daunorubicin|4'-epi-N-Trifluoroacetyldaunorubicin|(8S-cis)-8-Acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-arabino-hexopyranosyl)oxy)naphthacene-5,12-dione|N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide|(8S-cis)-8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-alpha-L-arabino-hexopyranosyl]oxy]naphthacene-5,12-dione|N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-oxan-4-yl]-2,2,2-trifluoro-acetamide

Molecular Formula	C29H28F3NO11
Molecular Weight	623.16144 g/mol
LogP	3.2
Topological Polar Surface Area	189.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	5
Exact Mass	623.16144
Monoisotopic Mass	623.16144
Heavy Atoms	44
Complexity	1170.0

Chemical Identifiers

CAS Number	26388-52-3
SMILES	CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)C(F)(F)F)O
InChIKey	VOASREXNXKOKBP-UHFFFAOYSA-N