 Home > Encyclopedia > 2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-phenylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide

2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-phenylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide

2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-phenylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide structure

CAS No:
77270-20-3
Formula:
C35H32F3NO11S
Chemical Name:
2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-phenylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide
Synonyms:
77270-20-3;N-(Trifloroacetyl)-14-phenyl-14-thiaadriamycin;DTXSID60998515;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-;7,8,9,10-Tetrahydro-6,8,11-trihydroxy-1-methoxy-8-((phenylthio)acetyl)-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione (8S-cis)-;3,5,12-Trihydroxy-10-methoxy-6,11-dioxo-3-[(phenylsulfanyl)acetyl]-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranoside

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2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-phenylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide Basic Attributes

Molecular Weight：

731.7 g/mol

Exact Mass：

731.16481650 g/mol

Characteristics

PSA：

214 Å²

XLogP3：

3.912

Melting Point：

140 - 141 °C

Computed Properties

Molecular Weight:731.7
XLogP3:5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:731.16481650
Monoisotopic Mass:731.16481650
Topological Polar Surface Area:214
Heavy Atom Count:51
Complexity:1330
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2,2-trifluoro-N-[3-hydroxy-2-methyl-6-[[3,5,12-trihydroxy-10-methoxy-6,11-dioxo-3-(2-phenylsulfanylacetyl)-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide

Basic Attributes
Characteristics
Computed Properties

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