6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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![6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/00eeb6558ef24be9abe553ba034b36e7.png "6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione")
6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
structure -
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CAS No:
103851-20-3
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Formula:
C29H33NO12
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Chemical Name:
6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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Synonyms:
N-(2-hydroxyethyl)doxorubicin;103851-20-3;N-(2-Hydroxyethyl)doxorubicin;DTXSID30908641;3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,4-dideoxy-2-[(2-hydroxyethyl)amino]-4-methylpentopyranoside;5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-((2-hydroxyethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
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CAS No:
6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[4-hydroxy-3-(2-hydroxyethylamino)-5-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Basic Attributes
587.6 g/mol
587.20027549 g/mol
Computed Properties
Molecular Weight:587.6
XLogP3:1.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:587.20027549
Monoisotopic Mass:587.20027549
Topological Polar Surface Area:212
Heavy Atom Count:42
Complexity:1030
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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