Adenomycin
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Adenomycin
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CAS No:
76174-56-6
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Formula:
C25H39N7O18S
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Chemical Name:
Adenomycin
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Synonyms:
adenomycin;Adenomycin;UNII-O4PL8DR3EV;O4PL8DR3EV;76174-56-6;NSC336242;[(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,5-dihydroxy-6-sulfooxycyclohexyl] (2S)-2-amino-3-hydroxypropanoate;(R)-2-Amino-3-hydroxy-propionic acid 4-(3-amino-4,5-dihydroxy-6-hydroxymethyltetrahydro-pyran-2-yloxy)-2-[5-(6-aminopurin-9-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy]-3,5-dihydroxy-6-sulfooxycyclohexyl ester;[(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3,5-dihydroxy-6-sulfooxy-cyclohexyl] (2S)-2-amino-3-hydroxy-propanoate
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CAS No:
Computed Properties
Molecular Weight:757.7
XLogP3:-9.8
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:24
Rotatable Bond Count:13
Exact Mass:757.20722859
Monoisotopic Mass:757.20722859
Topological Polar Surface Area:419
Heavy Atom Count:51
Complexity:1290
Defined Atom Stereocenter Count:16
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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