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Thiamine monophosphate

Thiamine monophosphate structure

CAS No:
532-40-1
Formula:
C12H18N4O4PS.Cl
Chemical Name:
Thiamine monophosphate
Synonyms:
Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-,chloride (1:1);Thiamine,dihydrogen phosphate (ester);Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-,chloride;Phosphoric acid,thiamine ester;Thiamine monophosphate;Thiamine monophosphate chloride;Thiamine phosphoric acid ester chloride;Phosphothiamin;Thiamine phosphate;Monophosphothiamine;Thiamine-P;Vitamin B1 monophosphate;Extraneurina;Fosbione;Neurifosforil;Novaneurina;Novobeta;Phosbitamin;Sineurina;Superneurina;Thiamin monophosphate;Phosphothiamine;TMP;TMP (thiamin ester);Vitamin B1 phosphate;Vitamin B1 monophosphate chloride;2-(3-((6-Imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl hydrogen phosphate hydrochloride;15973-55-4;51554-70-2;184170-97-6

Description

Crystalline

Thiamine(1+) monophosphate chloride is an organic chloride salt of thiamine(1+) monophosphate. It is an organic chloride salt and a vitamin B1. It contains a thiamine(1+) monophosphate.|Thiamine dihydrogen phosphate ester. The monophosphate ester of thiamine. Synonyms: monophosphothiamine; vitamin B1 monophosphate.

Thiamine monophosphate Basic Attributes

Molecular Weight：

380.78700

Exact Mass：

380.04700

EC Number：

208-536-9

UNII：

P712T71Q3T

DSSTox ID：

DTXSID6046397

Characteristics

PSA：

160.49000

XLogP3：

-1.69010

Appearance：

Solid

Melting Point：

200-202 °C

Storage Conditions：

2-8ºC

Collision Cross Section：

174 Å² [M-2H+Na]-

Safety Information

wgk germany：

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

Drug Information

MeSH：

A group of water-soluble vitamins, some of which are COENZYMES. (See all compounds classified as Vitamin B Complex.)

MeSH Entry Terms：

Monophosphate, Thiamine

Computed Properties

Molecular Weight:380.79
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:380.0474909
Monoisotopic Mass:380.0474909
Topological Polar Surface Area:151
Heavy Atom Count:23
Complexity:413
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Thiamine monophosphate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

Thiamine monophosphate

SDS

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