(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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CAS No:
130592-19-7
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Formula:
C27H28O11
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Chemical Name:
(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
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Synonyms:
3'-hydroxyesorubicin;3'-Hydroxyesorubicin;DTXSID40156631;130592-19-7
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CAS No:
(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,6R)-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Basic Attributes
528.5 g/mol
528.16316171 g/mol
DTXSID40156631
Computed Properties
Molecular Weight:528.5
XLogP3:2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:528.16316171
Monoisotopic Mass:528.16316171
Topological Polar Surface Area:180
Heavy Atom Count:38
Complexity:940
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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