Esterastin
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Esterastin
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CAS No:
67655-93-0
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Formula:
C28H46N2O6
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Chemical Name:
Esterastin
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Synonyms:
L-Asparagine,N2-acetyl-,(1S,3Z,6Z)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]-3,6-dodecadien-1-yl ester;L-Asparagine,N2-acetyl-,1-[(3-hexyl-4-oxo-2-oxetanyl)methyl]-3,6-dodecadienyl ester,[2S-[2α(1R*,3Z,6Z),3β]]-;L-Asparagine,N2-acetyl-,(1S,3Z,6Z)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]-3,6-dodecadienyl ester;Esterastin
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CAS No:
Computed Properties
Molecular Weight:506.7
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:21
Exact Mass:506.33558719
Monoisotopic Mass:506.33558719
Topological Polar Surface Area:125
Heavy Atom Count:36
Complexity:748
Undefined Atom Stereocenter Count:4
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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