N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-3-hydroxy-14-methylhexadecanamide
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N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-3-hydroxy-14-methylhexadecanamide
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CAS No:
82151-55-1
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Formula:
C40H68N4O17
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Chemical Name:
N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-3-hydroxy-14-methylhexadecanamide
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Synonyms:
Corynetoxin HI7a;2,4(1H,3H)-Pyrimidinedione, 1-((11S)-11-O-(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl)-6,10-dideoxy-10-((3-hydroxy-14-methyl-1-oxohexadecyl)amino)-L-galacto-beta-D-allo-undecodialdo-1,4-furanose-11,7-pyranos-1-yl)-;82151-55-1
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CAS No:
N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-3-hydroxy-14-methylhexadecanamide Basic Attributes
877.0 g/mol
876.45794671 g/mol
Computed Properties
Molecular Weight:877.0
XLogP3:0.6
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:23
Exact Mass:876.45794671
Monoisotopic Mass:876.45794671
Topological Polar Surface Area:327
Heavy Atom Count:61
Complexity:1450
Undefined Atom Stereocenter Count:17
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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