(7S,9S)-9-acetyl-7-[(2S,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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![(7S,9S)-9-acetyl-7-[(2S,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dc0d00a7f32744b58bca8ffc57b342a9.png "(7S,9S)-9-acetyl-7-[(2S,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione")
(7S,9S)-9-acetyl-7-[(2S,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
structure -
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CAS No:
56390-13-7
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Formula:
C27H29NO10
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Chemical Name:
(7S,9S)-9-acetyl-7-[(2S,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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Synonyms:
1',4'-Diepidaunorubicin;56390-13-7;DTXSID40204949;ZINC95749871;(8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexapyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione;5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-beta-L-arabino-hexapyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
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CAS No:
(7S,9S)-9-acetyl-7-[(2S,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Basic Attributes
527.5 g/mol
527.17914612 g/mol
DTXSID40204949
Computed Properties
Molecular Weight:527.5
XLogP3:1.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:527.17914612
Monoisotopic Mass:527.17914612
Topological Polar Surface Area:186
Heavy Atom Count:38
Complexity:960
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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