ChemSpider 2D Image | 3-[(4-Amino-2-methoxy-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium | C12H19N4O8P2S

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

  • Molecular FormulaC12H19N4O8P2S
  • Average mass441.313 Da
  • Monoisotopic mass441.039337 Da
  • ChemSpider ID23095152

  • Charge - Charge

More details:

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

3-[(4-Amino-2-methoxy-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium [German] [ACD/IUPAC Name]
3-[(4-Amino-2-methoxy-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium [ACD/IUPAC Name]
3-[(4-Amino-2-méthoxy-5-pyrimidinyl)méthyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}éthyl)-4-méthyl-1,3-thiazol-3-ium [French] [ACD/IUPAC Name]
Thiazolium, 3-[(4-amino-2-methoxy-5-pyrimidinyl)methyl]-5-[2-[[hydroxy(phosphonooxy)phosphinyl]oxy]ethyl]-4-methyl- [ACD/Index Name]
2'-methoxy-thiamin pyrophosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#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: 226 Å2
Polarizability:
Surface Tension:
Molar Volume:

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