(7S,9S)-7-[(2R,4S,5S,6S)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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![(7S,9S)-7-[(2R,4S,5S,6S)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/36597980892f41299ffc2f24a80c1035.png "(7S,9S)-7-[(2R,4S,5S,6S)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione")
(7S,9S)-7-[(2R,4S,5S,6S)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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CAS No:
106492-47-1
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Formula:
C27H29NO11
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Chemical Name:
(7S,9S)-7-[(2R,4S,5S,6S)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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Synonyms:
4'-amino-3'-hydroxy-doxorubicin;4'-amino-3'-hydroxydoxorubicin;106492-47-1;4'-Amino-3'-hydroxydoxorubicin;DTXSID10910020;4'-Amino-3'-hydroxy-doxorubicin;3'-Deamino-3'-hydroxy-4'-aminoadriamycin;3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-amino-2,4,6-trideoxyhexopyranoside;5,12-Naphthacenedione, 10-((4-amino-2,4,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
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CAS No:
(7S,9S)-7-[(2R,4S,5S,6S)-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Basic Attributes
543.5 g/mol
543.17406074 g/mol
Computed Properties
Molecular Weight:543.5
XLogP3:1.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:543.17406074
Monoisotopic Mass:543.17406074
Topological Polar Surface Area:206
Heavy Atom Count:39
Complexity:977
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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