AC1L49X4

(9R)-9-acetyl-9-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: 7-Deoxy-9-O-alpha-daunosaminyldaunomycinone|(R)-8-Acetyl-8-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-1-methoxy-5,12-naphthacenedione|5,12-Naphthacenedione, 8-acetyl-8-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-1-methoxy-, (R)-|(2R)-2-Acetyl-5,12-dihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|(9R)-9-acetyl-9-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione|2-Acetyl-5,12-dihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl 3-amino-2,3,6-trideoxyhexopyranoside

Molecular Formula	C27H29NO9
Molecular Weight	511.18423 g/mol
LogP	2.9
Topological Polar Surface Area	166.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	511.18423
Monoisotopic Mass	511.18423
Heavy Atoms	37
Complexity	928.0

Chemical Identifiers

CAS Number	69804-34-8
SMILES	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@]2(CCC3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)C(=O)C)N)O
InChIKey	WJCLITZQOAHCQO-CQQIFGIBSA-N