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2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate structure

CAS No.: 136-09-4

Chemical Name:: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate

Synonyms: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate;2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate;3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxyoxylatophosphinyloxy)ethyl]thiazol-3-ium;Thiazolium, 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)-, inner salt (9CI)

CBNumber:: CB5880197

Molecular Formula:: C12H18N4O7P2S

Molecular Weight:: 424.3

MDL Number:

MOL File:: 136-09-4.mol

Last updated:2023-05-09 09:30:45

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2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate Properties

Density	1.57[at 20℃]
Water Solubility	77g/L at 20℃
LogP	-4.9 at 20℃
FDA UNII	Q57971654Y

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H317
Precautionary statements	P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate Chemical Properties,Uses,Production

Definition

ChEBI: Thiamine(1+) diphosphate(1-) is an ammonium betaine that is the conjugate base of thiamine(1+) diphosphate arising from the deprotonation of one of the hydroxy groups of the terminal phosphate group. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is a vitamin B1, an ammonium betaine and a thiamine phosphate. It is a conjugate base of a thiamine(1+) diphosphate. It is a conjugate acid of a thiamine(1+) diphosphate(3-).

Flammability and Explosibility

Not classified

Purification Methods

Cocarboxylase tetrahydrate recrystallises from aqueous Me2CO. [Wenz et al. Justus Liebigs Ann Chem 618 210 1958, UV: Melnick J Biol Chem 131 615 1939, X-ray: Carlisle & Cook Acta Cryst (B) 25 1359 1969.] The hydrochloride salt has m 242-244o(dec), 241-243o(dec) or 239-240o(dec) and crystallises from aqueous HCl/EtOH, EtOH containing HCl or HCl/Me2CO. [Weijlard J Am Chem Soc 63 1160 1941, Synthesis: Weijlard & Tauber J Am Chem Soc 60 2263 1938, Beilstein 27 III/IV 1777.]

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate Preparation Products And Raw materials

Raw materials

Preparation Products

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate Suppliers

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2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxyoxylatophosphinyloxy)ethyl]thiazol-3-ium 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate Thiazolium, 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)-, inner salt (9CI) 136-09-4 C12H18N4O7P2S