1,2,3-trimethoxy-10-methylsulfanyl-7-[(3,4,5-trihydroxyoxan-2-yl)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one
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![1,2,3-trimethoxy-10-methylsulfanyl-7-[(3,4,5-trihydroxyoxan-2-yl)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dc72574eed174d7b8ac65f28925f0a0d.png "1,2,3-trimethoxy-10-methylsulfanyl-7-[(3,4,5-trihydroxyoxan-2-yl)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one")
1,2,3-trimethoxy-10-methylsulfanyl-7-[(3,4,5-trihydroxyoxan-2-yl)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one
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CAS No:
76155-18-5
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Formula:
C25H31NO8S
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Chemical Name:
1,2,3-trimethoxy-10-methylsulfanyl-7-[(3,4,5-trihydroxyoxan-2-yl)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one
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Synonyms:
76155-18-5;Colchicine, N-(alpha-L-arabinopyranosyl)-N-deacetyl-10-demethoxy-10-(methylthio)-;Benzo(a)heptalen-9(5H)-one, 7-(alpha-L-arabinosylamino)-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (S)-;DTXSID60997503;N-[1,2,3-Trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]pentopyranosylamine
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CAS No:
1,2,3-trimethoxy-10-methylsulfanyl-7-[(3,4,5-trihydroxyoxan-2-yl)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one Basic Attributes
505.6 g/mol
505.17703812 g/mol
Computed Properties
Molecular Weight:505.6
XLogP3:-0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:505.17703812
Monoisotopic Mass:505.17703812
Topological Polar Surface Area:152
Heavy Atom Count:35
Complexity:876
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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