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

Also Known As: alpha-Lactylthiamine|A-Lactylthiamine|Npt 16416|7,8-Dihydrothiazole(3,2e)hypoxanthine|7,8-Dihydrothiazolo(3,2-e)purin-4(1H)-one|2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-2-hydroxypropanoate|2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium-2-yl)-2-hydroxypropanoate|Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-2-(1-carboxy-1-hydroxyethyl)-5-(2-hydroxyethyl)-4-methyl-, hydroxide, inner salt|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-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

Molecular Formula	C15H20N4O4S
Molecular Weight	352.1205 g/mol
LogP	0.8
Topological Polar Surface Area	165.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	352.1205
Monoisotopic Mass	352.1205
Heavy Atoms	24
Complexity	452.0

Chemical Identifiers

CAS Number	86870-52-2
SMILES	CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C)(C(=O)[O-])O)CCO
InChIKey	DDZPSVZOYAVAJF-UHFFFAOYSA-N