L-Valyldaunorubicin HCl

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-amino-3-methylbutanamide;hydrochloride

Also Known As: L-Valyldaunorubicin HCl|L-Valyldaunorubicin monohydrochloride|5,12-Naphthacenedione, 8-acetyl-10-((3-((2-amino-3-methyl-1-oxobutyl)amino)-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-(8alpha,10alpha(R*)))-|8-Acetyl-10-((3-((2-amino-3-methyl-1-oxobutyl)amino)-2,3,6-trideoxy-alpha-L-xylo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione monohydrochloride, (8S-(8alpha,10alpha(R*)))-|3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)|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-amino-3-methylbutanamide hydrochloride

Molecular Formula	C32H39ClN2O11
Molecular Weight	662.22424 g/mol
LogP	1.5915
Topological Polar Surface Area	215.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	7
Exact Mass	662.22424
Monoisotopic Mass	662.22424
Heavy Atoms	46
Complexity	1170.0

Chemical Identifiers

CAS Number	74853-76-2
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(C(C)C)N)O.Cl
InChIKey	JWOWQAJGOKWSKJ-UHFFFAOYSA-N