7-DEOXYDOXORUBICINONE
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7-DEOXYDOXORUBICINONE
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CAS No:
38554-25-5
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Formula:
C21H18O8
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Chemical Name:
7-DEOXYDOXORUBICINONE
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Synonyms:
7-DEOXYDOXORUBICINONE;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8R)-;7-deoxyadriamycin aglycone;(8R)-7,8,9,10-Tetrahydro-6,8α,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione;(R)-1-Methoxy-6,8α,11-trihydroxy-8β-(hydroxyacetyl)-7,8,9,10-tetrahydro-5,12-naphthacenedione;7-Deoxydoxorubicin aglycon;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (R)- (9ci);7-Deoxydoxorubicin aglycone
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CAS No:
Computed Properties
Molecular Weight:398.4
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:398.10016753
Monoisotopic Mass:398.10016753
Topological Polar Surface Area:141
Heavy Atom Count:29
Complexity:707
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes