methyl (1S,2S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-1-carboxylate
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methyl (1S,2S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-1-carboxylate
structure -
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CAS No:
75324-02-6
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Formula:
C22H20O7
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Chemical Name:
methyl (1S,2S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-1-carboxylate
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Synonyms:
75324-02-6;1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-5,7,12-trihydroxy-6,11-dioxo-, methyl ester, 1S-cis-;9-Deoxy-zeta-rhodomycinone;CHEMBL21719;DTXSID80226286
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CAS No:
methyl (1S,2S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-1-carboxylate Basic Attributes
396.4 g/mol
396.12090297 g/mol
DTXSID80226286
Computed Properties
Molecular Weight:396.4
XLogP3:4.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:396.12090297
Monoisotopic Mass:396.12090297
Topological Polar Surface Area:121
Heavy Atom Count:29
Complexity:691
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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