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Name	Cocarboxylase tetrahydrate	EINECS	1592732-453-0
CAS No.	68684-55-9	Density	N/A
PSA	256.58000	LogP	1.60390
Solubility	N/A	Melting Point	N/A
Formula	C₁₂H₁₈N₄O₇P₂S.4H₂O	Boiling Point	N/A
Molecular Weight	496.37	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-,inner salt, P,P'-dioxide, tetrahydrate;

Cocarboxylase tetrahydrate Specification

The Cocarboxylase tetrahydrate, with the CAS registry number 68684-55-9, is also known as 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium P,P'-dioxide tetrahydrate. It belongs to the product category of Vitamins and Derivatives. This chemical's molecular formula is C₁₂H₁₈N₄O₇P₂S.4H₂O and molecular weight is 496.37. Its systematic name is called thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[[hydroxy(phosphonooxy)phosphinyl]oxy]ethyl]-4-methyl-, chloride, hydrate (1:1:4).

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O.O.O.O.O.[Cl-]
(2)InChI: InChI=1/C12H18N4O7P2S.ClH.4H2O/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H;4*1H2
(3)InChIKey: YXGVMYQQOAFBOO-UHFFFAOYAT

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