(αS,1α,4α)-α-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid
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(αS,1α,4α)-α-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid
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CAS No:
53078-86-7
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Formula:
C10H13NO5
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Chemical Name:
(αS,1α,4α)-α-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid
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Synonyms:
2,5-Cyclohexadiene-1-propanoic acid,α-amino-1-carboxy-4-hydroxy-,(αS,1α,4α)-;2,5-Cyclohexadiene-1-propanoic acid,α-amino-1-carboxy-4-hydroxy-,[1(S)-cis]-;(αS,1α,4α)-α-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid;Pretyrosine;Arogenic acid;L-Arogenic acid
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CAS No:
(αS,1α,4α)-α-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid Basic Attributes
227.21 g/mol
227.21
OF8O7OR17T
Computed Properties
Molecular Weight:227.21
XLogP3:-3.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:227.07937252
Monoisotopic Mass:227.07937252
Topological Polar Surface Area:121
Heavy Atom Count:16
Complexity:346
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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