(2R,3R,4S,5R,6R)-2-[2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol Chloride
[CAS# 260370-52-3]

Identification

• Name: (2R,3R,4S,5R,6R)-2-[2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethoxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol Chloride
• Synonyms: Thiamine Galactoside
• Molecular Formula: C₁₈H₂₇ClN₄O₆S
• Molecular Weight: 462.95
• CAS Registry Number: 260370-52-3
• SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O.[Cl-]
• InChI: 1S/C18H27N4O6S.ClH/c1-9-13(29-8-22(9)6-11-5-20-10(2)21-17(11)19)3-4-27-18-16(26)15(25)14(24)12(7-23)28-18;/h5,8,12,14-16,18,23-26H,3-4,6-7H2,1-2H3,(H2,19,20,21);1H/q+1;/p-1/t12-,14+,15+,16-,18-;/m1./s1
• InChIKey: PPAFWOAFTGWGCR-FKIMCXNPSA-M

Properties

• Refractive index: (Cal.)