(2R)-2-acetamido-3-(5-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid
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(2R)-2-acetamido-3-(5-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid
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CAS No:
134958-26-2
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Formula:
C11H14BrNO4S
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Chemical Name:
(2R)-2-acetamido-3-(5-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid
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Synonyms:
3,2-premercapturic acid;134958-26-2;3,2-Premercapturic acid;DTXSID60928837;S-(3-Bromo-2-hydroxy-3,5-cyclohexadien-1-yl)-N-acetyl-L-cysteine;S-(5-Bromo-6-hydroxycyclohexa-2,4-dien-1-yl)-N-(1-hydroxyethylidene)cysteine
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CAS No:
(2R)-2-acetamido-3-(5-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid Basic Attributes
336.20 g/mol
334.98269 g/mol
Computed Properties
Molecular Weight:336.20
XLogP3:0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:334.98269
Monoisotopic Mass:334.98269
Topological Polar Surface Area:112
Heavy Atom Count:18
Complexity:397
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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