(7S)-1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one
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![(7S)-1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8b783939eeae458a8532f348b3c8d039.png "(7S)-1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one")
(7S)-1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one
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CAS No:
66568-82-9
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Formula:
C26H33NO9S
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Chemical Name:
(7S)-1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one
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Synonyms:
66568-82-9;NSC221659;DTXSID00985166;NSC186308;NSC-186308;NSC-221659;Benzo[a]heptalen-9(5H)-one,7-dihydro-7-(.beta.-D-mannopyranosylamino)-1,2,3-trimethoxy-10-(methylthio)-, (S)-;N-[1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]hexopyranosylamine
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CAS No:
(7S)-1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one Basic Attributes
535.6 g/mol
535.18760280 g/mol
186308|221659
Computed Properties
Molecular Weight:535.6
XLogP3:-0.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:535.18760280
Monoisotopic Mass:535.18760280
Topological Polar Surface Area:172
Heavy Atom Count:37
Complexity:924
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
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