7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-butylsulfanylacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-butylsulfanylacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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CAS No:
83291-64-9
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Formula:
C31H37NO10S
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Chemical Name:
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-butylsulfanylacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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Synonyms:
83291-64-9;14-Butyl-14-thiaadriamycin;DTXSID701003276;3-[(butylsulfanyl)acetyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside;5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-((butylthio)acetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
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CAS No:
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-butylsulfanylacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Basic Attributes
615.7 g/mol
615.21381755 g/mol
Computed Properties
Molecular Weight:615.7
XLogP3:3.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:615.21381755
Monoisotopic Mass:615.21381755
Topological Polar Surface Area:211
Heavy Atom Count:43
Complexity:1050
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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