4-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile
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4-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile
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CAS No:
89196-06-5
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Formula:
C32H34N2O11
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Chemical Name:
4-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile
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Synonyms:
beta-3'-Deamino-3'-(3-cyano-4-morpholinyl)daunomycin;(8S-cis)-8-Acetyl-10-((3-((S)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-D-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione;5,12-Naphthacenedione, 8-acetyl-10-((3-((S)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-D-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-;8-Acetyl-10-((3-((S)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-D-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione (8S-cis)-;89196-06-5
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CAS No:
4-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]morpholine-3-carbonitrile Basic Attributes
622.6 g/mol
622.21625990 g/mol
Computed Properties
Molecular Weight:622.6
XLogP3:2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:5
Exact Mass:622.21625990
Monoisotopic Mass:622.21625990
Topological Polar Surface Area:196
Heavy Atom Count:45
Complexity:1220
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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