ChemSpider 2D Image | 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxy-2-methylpropyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium | C16H27N4O8P2S

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxy-2-methylpropyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

  • Molecular FormulaC16H27N4O8P2S
  • Average mass497.420 Da
  • Monoisotopic mass497.101929 Da
  • ChemSpider ID26333171
  • Charge - Charge


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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxy-2-methylpropyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium [German] [ACD/IUPAC Name]
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxy-2-methylpropyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium [ACD/IUPAC Name]
3-[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl]-2-(1-hydroxy-2-méthylpropyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}éthyl)-4-méthyl-1,3-thiazol-3-ium [French] [ACD/IUPAC Name]
Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxy-2-methylpropyl)-5-[2-[[hydroxy(phosphonooxy)phosphinyl]oxy]ethyl]-4-methyl- [ACD/Index Name]
1-hydroxy-2-methylpropyl-thiamine diphosphate
1-hydroxy-2-methylpropyl-thiamine pyrophosphate
2-methyl-1-hydroxypropylthiamine diphosphate
2-methyl-1-hydroxypropyl-thiamine diphosphate
2-methyl-1-hydroxypropyl-thiamine pyrophosphate
2-Methyl-1-hydroxypropyl-ThPP
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 237 Å2
Polarizability:
Surface Tension:
Molar Volume:

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