Thiamine triphosphate

[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

CAS: 15666-52-1

Molecular Formula	`C12H20N4O10P3S+`
Molecular Weight	505.3 g/mol
LogP	-2.3
Topological Polar Surface Area	244.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	10
Exact Mass	505.0113
Heavy Atoms	30
Complexity	728.0

Chemical Identifiers

CAS Number	15666-52-1
SMILES	`CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O`
InChIKey	`IWLROWZYZPNOFC-UHFFFAOYSA-O`

📖 Product Overview

Thiamine triphosphate (CAS: 15666-52-1) is a chemical compound with molecular formula C12H20N4O10P3S+ and molecular weight 505.3 g/mol. Its IUPAC systematic name is [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate. LogP -2.3 Topological Polar Surface Area 244.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 14 Rotatable Bonds 10 Exact Mass 505.0113 Heavy Atoms 30 Complexity 728.0 InChI Key: IWLROWZYZPNOFC-UHFFFAOYSA-O. SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O.

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