alpha,beta-Dihydroxyethyl-ThDP

Molecular Formula: C₁₄H₂₂N₄O₉P₂S

InChI: InChI=1/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/b14-11-/f/h21-22,24H,15H2

InChIKey: InChIKey=LXZUEFPJZTWGEL-JSZBNNOCDG
SMILES: CC1=C(SC(=C(CO)O)N1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O

Names:
    alpha,beta-Dihydroxyethyl-ThDP
    alpha,beta-Dihydroxyethyl-TPP
    C13378
    2-(1,2-Dihydroxyethyl)-TPP
    [2-[(2Z)-3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1,2-dihydroxyethylidene)-4-methyl-1,3-thiazol-5-yl]ethoxy-hydroxy-phosphoryl]oxyphosphonic acid

Registries:
    PubChem CID 5282214
    PubChem ID 586122