AC1L70AT

[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] 4-nitrobenzoate

Also Known As: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] 4-nitrobenzoate|3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-(4-nitrobenzoyl)-3,6-bis(2,2,2-trifluoroacetamido)hexopyranoside

Molecular Formula	C38H31F6N3O15
Molecular Weight	883.16595 g/mol
LogP	5.3
Topological Polar Surface Area	270.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	21
Rotatable Bonds	10
Exact Mass	883.16595
Monoisotopic Mass	883.16595
Heavy Atoms	62
Complexity	1770.0

Chemical Identifiers

CAS Number	70580-77-7
SMILES	CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)CNC(=O)C(F)(F)F)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])NC(=O)C(F)(F)F)O
InChIKey	CZQDJJXBCWUJIL-UHFFFAOYSA-N