273724-21-3
THIAMINE MONOPHOSPHATE CHLORIDE DIHYDRATE
NameTHIAMINE MONOPHOSPHATE CHLORIDE DIHYDRATE
FormulaC12 H18 N4 O4 P S . Cl . 2 H2 O
1Identification
【Name】
THIAMINE MONOPHOSPHATE CHLORIDE DIHYDRATE
【CAS】
【MDL】
MFCD00150731
【English Synonyms】
【Formula】
C12 H18 N4 O4 P S . Cl . 2 H2 O
【MolWeight】
416.821
【Inchi】
InChI=1S/C12H17N4O4PS.ClH.2H2O/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;;;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H;2*1H2
【InChIKey】
InChIKey=FANVXQCOBPOPEG-UHFFFAOYSA-N
【SMILES】
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O.O.O.[Cl-]
【MOL File】
THIAMINE MONOPHOSPHA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
THIAMINE MONOPHOSPHATE CHLORIDE DIHYDRATE.cml