3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium

Solid

Solid

Thiamine(1+) diphosphate is a thiamine phosphate that is thiamine(1+) in which the hydroxy group has been replaced by a diphosphate group. It is the active form of vitamin B1 and an essential cofactor for enzymes in key metabolic pathways. It has a role as a fundamental metabolite and a cofactor. It is a vitamin B1 and a thiamine phosphate. It is a conjugate acid of a thiamine(1+) diphosphate(1-).|The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.

Molecular Weight:425.32
XLogP3:-1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:425.04496913
Monoisotopic Mass:425.04496913
Topological Polar Surface Area:197
Heavy Atom Count:26
Formal Charge:1
Complexity:568
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes