Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylate
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Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylate
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CAS No:
16234-96-1
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Formula:
C22H20O8
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Chemical Name:
Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylate
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Synonyms:
1-Naphthacenecarboxylic acid,2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-,methyl ester,(1R,2R,4S)-;Aklavinone;1-Naphthacenecarboxylic acid,2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-,methyl ester,[1R-(1α,2β,4β)]-;Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylate;Antibiotic MA 144D1;Aclavinone;NSC 114780;132701-57-6;21204-33-1
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CAS No:
Description
Aklavinone is an anthracycline, a member of tetracenequinones, a methyl ester and a tertiary alcohol. It has a role as an antineoplastic agent.
Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylate Basic Attributes
412.394
412.39
Computed Properties
Molecular Weight:412.4
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:412.11581759
Monoisotopic Mass:412.11581759
Topological Polar Surface Area:141
Heavy Atom Count:30
Complexity:737
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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