4'-epidaunomycin
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4'-epidaunomycin
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CAS No:
75444-29-0
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Formula:
C27H29NO10
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Chemical Name:
4'-epidaunomycin
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Synonyms:
4"-epidaunomycin;4"-epidaunomycin hydrochloride, (8S-cis)-isomer;4"-epidaunomycin, (beta-L)-(8S-cis)-isomer;(7S,9S)-9-acetyl-7-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;4"-epi-Daunomycin;ZINC3995929;5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-beta-D-aralino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
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CAS No:
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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