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Home > Encyclopedia > Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate

Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate

Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate structure

Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate 

structure
  • CAS No:

    116235-59-7

  • Formula:

    C22H18O8

  • Chemical Name:

    Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate

  • Synonyms:

    1-Naphthacenecarboxylic acid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-,methyl ester,(1R,2R)-;1-Naphthacenecarboxylic acid,2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-,methyl ester,(1R-trans)-;Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate;Aklaviketone

Description

ChEBI: A carboxylic ester that is the methyl ester of (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid.


Aklaviketone is a carboxylic ester that is the methyl ester of (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid. It has a role as a bacterial metabolite. It is a polyphenol, a tertiary alcohol, a tetracenomycin, a carbopolycyclic compound, a member of tetracenequinones, a methyl ester and a member of p-quinones. It is a conjugate acid of an aklaviketone(1-).

Methyl (1R,2R)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-1-naphthacenecarboxylate Basic Attributes

410.378

410.37

DTXSID40151323

Characteristics

138

3.2

Drug Information

aklaviketone

Computed Properties

Molecular Weight:410.4
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:410.10016753
Monoisotopic Mass:410.10016753
Topological Polar Surface Area:138
Heavy Atom Count:30
Complexity:777
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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