2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-[hydroxy(phosphonooxy)phosphoryl]oxyacetate;chloride
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![2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-[hydroxy(phosphonooxy)phosphoryl]oxyacetate;chloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5195a2a27af0407abc7a78a021f045b1.png "2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-[hydroxy(phosphonooxy)phosphoryl]oxyacetate;chloride")
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-[hydroxy(phosphonooxy)phosphoryl]oxyacetate;chloride
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CAS No:
104114-88-7
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Formula:
C14H21ClN4O9P2S
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Chemical Name:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-[hydroxy(phosphonooxy)phosphoryl]oxyacetate;chloride
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Synonyms:
2-acetylthiamin pyrophosphate;2-acetylthiamine pyrophosphate;acetylthiamine diphosphate;AcThDP;2-Acetylthiamin pyrophosphate;2-Acetylthiamine pyrophosphate;Acetylthiamine diphosphate;104114-88-7
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CAS No:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-[hydroxy(phosphonooxy)phosphoryl]oxyacetate;chloride Basic Attributes
518.8 g/mol
518.0193011 g/mol
Computed Properties
Molecular Weight:518.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:11
Exact Mass:518.0193011
Monoisotopic Mass:518.0193011
Topological Polar Surface Area:224
Heavy Atom Count:31
Complexity:684
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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