(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid
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(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid
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CAS No:
28406-15-7
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Formula:
C11H18N2O3
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Chemical Name:
(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid
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Synonyms:
(2R,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methyl-4-imidazolyl)butanoic acid;isopilocarpic acid;pilocarpic acid;pilocarpic acid, (R-(R*,R*))-isomer;Pilocarpic acid;UNII-978XN1E1ZN;978XN1E1ZN;28406-15-7;(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid;Pilocarpinsaure;ZINC31501043;Q27271985;1H-Imidazole-5-butanoic acid, alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, (alphaS,betaR)-;1H-Imidazole-5-butanoic acid, alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, (S-(R*,S*))-
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CAS No:
(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid Basic Attributes
226.27 g/mol
226.13174244 g/mol
978XN1E1ZN
Computed Properties
Molecular Weight:226.27
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:226.13174244
Monoisotopic Mass:226.13174244
Topological Polar Surface Area:75.4
Heavy Atom Count:16
Complexity:235
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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