Account 2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl dihydrogen diphosphate tetrahydrate
- Catalog No. :
- ACCNAW104
- CAS No. :
- 68684-55-9
- Molecular Formula :
- C12H26N4O11P2S
- Molecular Weight :
- 496.37
IUPAC Name:2-(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl dihydrogen diphosphate tetrahydrate
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Product Information
| Product Name | 2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl dihydrogen diphosphate tetrahydrate |
|---|---|
| IUPAC Name | 2-(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl dihydrogen diphosphate tetrahydrate |
| Molecular Formula | C12H26N4O11P2S |
| Molecular Weight | 496.37 |
| SMILES | O=P(O)(OP([O-])(OCCC1=C(C)[N+](CC2=CN=C(C)N=C2N)=CS1)=O)O.[H]O[H].[H]O[H].[H]O[H].[H]O[H] |
| InChI Key | KLOLNRGPRQYTIW-UHFFFAOYSA-N |
| Synonym | TPP tetrahydrate;Thiamine pyrophosphate chloride tetrahydrate;COCABOXYLASETETRAHYDRATE;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;Cocarboxylase tetrahydrate;Thiamine diphosphoric acid ester;Cocarboxylasetetrahydrate(thiaminediphosphoricacidestertetrahydrate);3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((((hydrogen phosphonato)oxy)(hydroxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium tetrahydrate |
| CAS No. | 68684-55-9 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H317
- Precautionary Statement(s)
- P261-P272-P280-P302+P352-P333+P313-P363-P501
Synthetic Route by SureRoute
2. ACCNAW104 Molecular Building Block Synthetic Route
3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy(phosphonooxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride
2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl dihydrogen diphosphate
3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy(phosphonooxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride hydrochloride