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Home > Encyclopedia > methyl (1S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,4-dihydrotetracene-1-carboxylate

methyl (1S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,4-dihydrotetracene-1-carboxylate

methyl (1S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,4-dihydrotetracene-1-carboxylate structure

methyl (1S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,4-dihydrotetracene-1-carboxylate 

structure
  • CAS No:

    75324-01-5

  • Formula:

    C22H18O7

  • Chemical Name:

    methyl (1S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,4-dihydrotetracene-1-carboxylate

  • Synonyms:

    75324-01-5;1-Naphthacenecarboxylic acid, 2-ethyl-1,4,6,11-tetrahydro-5,7,12-trihydroxy-6,11-dioxo-, methyl ester, (S)-;8,9-Dehydro-zeta-rhodomycinone;CHEMBL21339;DTXSID20226285

methyl (1S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,4-dihydrotetracene-1-carboxylate Basic Attributes

394.4 g/mol

394.10525291 g/mol

DTXSID20226285

Characteristics

121 Ų

2.7279

169 - 171 °C (benzene)

Computed Properties

Molecular Weight:394.4
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:394.10525291
Monoisotopic Mass:394.10525291
Topological Polar Surface Area:121
Heavy Atom Count:29
Complexity:743
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

Guide of methyl (1S)-2-ethyl-5,7,12-trihydroxy-6,11-dioxo-1,4-dihydrotetracene-1-carboxylate

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