(2S,2′S,6S)-2′,3′,6,7-Tetrahydro-1,2′,5′,6,9,10′-hexahydroxy-2′,6-dimethyl[2,9′-bianthracene]-4′,8(1′H,5H)-dione
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![(2S,2′S,6S)-2′,3′,6,7-Tetrahydro-1,2′,5′,6,9,10′-hexahydroxy-2′,6-dimethyl[2,9′-bianthracene]-4′,8(1′H,5H)-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0b1b5b193443463f8a11de056f3fb0dd.png "(2S,2′S,6S)-2′,3′,6,7-Tetrahydro-1,2′,5′,6,9,10′-hexahydroxy-2′,6-dimethyl[2,9′-bianthracene]-4′,8(1′H,5H)-dione")
(2S,2′S,6S)-2′,3′,6,7-Tetrahydro-1,2′,5′,6,9,10′-hexahydroxy-2′,6-dimethyl[2,9′-bianthracene]-4′,8(1′H,5H)-dione
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CAS No:
110270-61-6
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Formula:
C30H26O8
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Chemical Name:
(2S,2′S,6S)-2′,3′,6,7-Tetrahydro-1,2′,5′,6,9,10′-hexahydroxy-2′,6-dimethyl[2,9′-bianthracene]-4′,8(1′H,5H)-dione
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Synonyms:
[2,9′-Bianthracene]-4′,8(1′H,5H)-dione,2′,3′,6,7-tetrahydro-1,2′,5′,6,9,10′-hexahydroxy-2′,6-dimethyl-,(2S,2′S,6S)-;(2S,2′S,6S)-2′,3′,6,7-Tetrahydro-1,2′,5′,6,9,10′-hexahydroxy-2′,6-dimethyl[2,9′-bianthracene]-4′,8(1′H,5H)-dione;T 514;Toxin T 514;Peroxisomicine A1;Peroxisomicin A1;T 514 (antitumor agent)
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CAS No:
(2S,2′S,6S)-2′,3′,6,7-Tetrahydro-1,2′,5′,6,9,10′-hexahydroxy-2′,6-dimethyl[2,9′-bianthracene]-4′,8(1′H,5H)-dione Basic Attributes
514.5 g/mol
514.52
667838
Computed Properties
Molecular Weight:514.5
XLogP3:4.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:514.16276778
Monoisotopic Mass:514.16276778
Topological Polar Surface Area:156
Heavy Atom Count:38
Complexity:970
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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