beta-rubromycin
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beta-rubromycin
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CAS No:
27267-70-5
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Formula:
C27H20O12
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Chemical Name:
beta-rubromycin
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Synonyms:
beta-rubromycin;CHEMBL2170857;DTXSID30181715;BDBM50396098;methyl (2S)-8",10-dihydroxy-5",7"-dimethoxy-4",9,9"-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2"-3H-benzo[f][1]benzofuran]-7-carboxylate;methyl (2S)-8",10-dihydroxy-5",7"-dimethoxy-4",9,9"-trioxo-spiro[3,4-dihydropyrano[4,3-g]chromene-2,2"-3H-benzo[f]benzofuran]-7-carboxylate;Methyl-8,10"-dihydroxy-5,7-dimethoxy-4,9,9"-trioxo-4,4",9,9"-tetrahydro-3H,3"H-spirofuran-2,2"-pyranochromene]-7"-carboxylate;Spiro(benzo(1,2-b:5,4-c")dipyran-2(3H),2"(3"H)-naphtho(1,2-b)furan)-7-carboxylic acid, 4,4",5",9-tetrahydro-6",10-dihydroxy-7",9"-dimethoxy-4",5",9-trioxo-, methyl ester;Spiro[benzo[1,2-b:5,4-c"]dipyran-2(3H),2"(3"H)-naphtho[2,3-b]furan]-7-carboxylic acid, 4,4",9,9"-tetrahydro-8",10-dihydroxy-5",7"-dimethoxy-4",9,9"-trioxo-, methyl ester, (2S)-
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CAS No:
Characteristics
164
4.1
1.67±0.1 g/cm3(Predicted)
874.8ºC at 760mmHg
298.9ºC
1.715
2.92E-32mmHg at 25°C
Computed Properties
Molecular Weight:536.4
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:4
Exact Mass:536.09547607
Monoisotopic Mass:536.09547607
Topological Polar Surface Area:164
Heavy Atom Count:39
Complexity:1170
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes