alpha-lactylthiamine
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alpha-lactylthiamine
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CAS No:
82205-83-2
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Formula:
C15H20N4O4S
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Chemical Name:
alpha-lactylthiamine
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Synonyms:
alpha-lactylthiamine;2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-2-hydroxypropanoate;CTK8D6594;DTXSID401002550;2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium-2-yl)-2-hydroxypropanoate;2-Hydroxy-2-{5-(2-hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-2-yl}propanoate;Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-2-(1-carboxy-1-hydroxyethyl)-5-(2-hydroxyethyl)-4-methyl-, hydroxide, inner salt
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CAS No:
Computed Properties
Molecular Weight:352.4
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:352.12052631
Monoisotopic Mass:352.12052631
Topological Polar Surface Area:165
Heavy Atom Count:24
Complexity:452
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes