rel-(4R,5R)-5-(Mercaptomethyl)-2-oxo-4-imidazolidinehexanoic acid
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rel-(4R,5R)-5-(Mercaptomethyl)-2-oxo-4-imidazolidinehexanoic acid
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CAS No:
139936-57-5
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Formula:
C10H18N2O3S
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Chemical Name:
rel-(4R,5R)-5-(Mercaptomethyl)-2-oxo-4-imidazolidinehexanoic acid
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Synonyms:
4-Imidazolidinehexanoic acid,5-(mercaptomethyl)-2-oxo-,(4R,5R)-rel-;4-Imidazolidinehexanoic acid,5-(mercaptomethyl)-2-oxo-,cis-(±)-;4-Imidazolidinehexanoic acid,5-(mercaptomethyl)-2-oxo-,cis-;rel-(4R,5R)-5-(Mercaptomethyl)-2-oxo-4-imidazolidinehexanoic acid
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CAS No:
Description
9-mercaptodethiobiotin is a member of the class of imidazolidinones that is dethiobiotin carrying a mercapto substituent at position 9. An intermediate in the biosynthesis of biotin. It has a role as an Escherichia coli metabolite. It is a monocarboxylic acid, a member of ureas, an imidazolidinone and a thiol. It derives from a (4R,5S)-dethiobiotin.
rel-(4R,5R)-5-(Mercaptomethyl)-2-oxo-4-imidazolidinehexanoic acid Basic Attributes
246.33 g/mol
246.33
Computed Properties
Molecular Weight:246.33
XLogP3:0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:246.10381361
Monoisotopic Mass:246.10381361
Topological Polar Surface Area:79.4
Heavy Atom Count:16
Complexity:260
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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