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DAUNOMYCINONE

CAS No.:
21794-55-8
Catalog Number:
AG00BBTF
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BBTF
Chemical Name:
DAUNOMYCINONE
CAS Number:
21794-55-8
MDL Number:
MFCD01713208
IUPAC Name:
(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
InChI:
InChI=1S/C21H18O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,11,23,25-26,28H,6-7H2,1-2H3/t11-,21-/m0/s1
InChI Key:
YOFDHOWPGULAQF-MQJDWESPSA-N
UNII:
FN5680X78X
Properties
Complexity:
722  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
398.1g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
398.367g/mol
Monoisotopic Mass:
398.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Erythroleukemia relapsing as precursor B-cell lymphoblastic leukemia. The Korean journal of laboratory medicine 20110401
Synthesis and cytotoxic activity of a new potent daunomycinone derivative. Bioorganic & medicinal chemistry letters 20021216
Enantioselective synthesis of (+)-4-demethoxy-1,4-dimethyldaunomycinone. Bioorganic & medicinal chemistry 20020301
Properties