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Home > Encyclopedia > S-[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] benzenecarbothioate

S-[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] benzenecarbothioate

S-[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] benzenecarbothioate structure

S-[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] benzenecarbothioate 

structure
  • CAS No:

    101980-73-8

  • Formula:

    C36H32F3NO12S

  • Chemical Name:

    S-[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] benzenecarbothioate

  • Synonyms:

    Adriamycin 14-thioacetate;101980-73-8;DTXSID80906955;Benzenecarbothioic acid, S-(2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphthacentyl)-2-oxoethyl) ester, (2S-cis)-;S-{2-Oxo-2-[2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl} benzenecarbothioate

S-[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] benzenecarbothioate Basic Attributes

759.7 g/mol

759.15973112 g/mol

Characteristics

231 Ų

Computed Properties

Molecular Weight:759.7
XLogP3:4.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:9
Exact Mass:759.15973112
Monoisotopic Mass:759.15973112
Topological Polar Surface Area:231
Heavy Atom Count:53
Complexity:1430
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of S-[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] benzenecarbothioate

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