(5S,8S,9R)-8-benzoyl-2-[(1S,2R,3S,4S)-3,4-dibromo-1,2-dihydroxyhexyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
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![(5S,8S,9R)-8-benzoyl-2-[(1S,2R,3S,4S)-3,4-dibromo-1,2-dihydroxyhexyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/698f6385482948e1a7a3eff43786e5cc.png "(5S,8S,9R)-8-benzoyl-2-[(1S,2R,3S,4S)-3,4-dibromo-1,2-dihydroxyhexyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione")
(5S,8S,9R)-8-benzoyl-2-[(1S,2R,3S,4S)-3,4-dibromo-1,2-dihydroxyhexyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
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CAS No:
58546-67-1
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Formula:
C22H25Br2NO8
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Chemical Name:
(5S,8S,9R)-8-benzoyl-2-[(1S,2R,3S,4S)-3,4-dibromo-1,2-dihydroxyhexyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
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Synonyms:
12.13-dibromopseurotin;58546-67-1;12.13-Dibromopseurotin;CHEMBL463028;DTXSID90974105;12,13-DIBROMOPSEUROTIN A;1-Oxa-7-azaspiro(4.4)non-2-ene-4,6-dione, 8-benzoyl-2-(3,4-dibromo-1,2-dihydroxyhexyl)-9-hydroxy-8-methoxy-3-methyl-, (5S-(2(1R*,2S*,3R*,4R*),5alpha,8beta,9beta))-;8-Benzoyl-2-(3,4-dibromo-1,2-dihydroxyhexyl)-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
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CAS No:
(5S,8S,9R)-8-benzoyl-2-[(1S,2R,3S,4S)-3,4-dibromo-1,2-dihydroxyhexyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione Basic Attributes
591.2 g/mol
590.99264 g/mol
Computed Properties
Molecular Weight:591.2
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:590.99264
Monoisotopic Mass:588.99469
Topological Polar Surface Area:142
Heavy Atom Count:33
Complexity:844
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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