thiamine phosphate ester dihydrogen phosphate salt

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;dihydrogen phosphate

Also Known As: UMBEON|Thiamine phosphate ester dihydrogen phosphate salt|EINECS 211-246-5|Thiamine phosphoric acid ester phosphate|MONOPHOSPHOTHIAMINE PHOSPHATE|thiaminephosphateesterdihydrogenphosphatesalt|THIAMINE PHOSPHORIC ACID ESTER PHOSPHATE SALT|THIAMINE PHOSPHORIC ACID ESTER PHOSPHATE [WHO-DD]|Thiamine phosphate (1:1) (salt), dihydrogen phosphate (ester)|N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide|THIAMINE, HYDROXIDE, DIHYDROGEN PHOSPHATE (ESTER), INNER SALT, PHOSPHATE (1:1)|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate,dihydrogen phosphate|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; dihydrogen phosphate|211-246-5|3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium dihydrogen phosphate|3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium dihydrogen phosphate|THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(2-(PHOSPHONOOXY)ETHYL)-, PHOSPHATE (1:1)

Molecular Formula	C12H20N4O8P2S
Molecular Weight	442.0477 g/mol
LogP	-0.83586
Topological Polar Surface Area	203.03 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	442.0477
Monoisotopic Mass	442.0477
Heavy Atoms	27
Complexity	856.8161

Chemical Identifiers

CAS Number	6350-66-9
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.OP(=O)(O)[O-]