ChemSpider 2D Image | 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-3-methyl-butyl)-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate | C17H29N4O8P2S

2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-3-methyl-butyl)-4-methyl-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate

  • Molecular FormulaC17H29N4O8P2S
  • Average mass511.446 Da
  • Monoisotopic mass511.117584 Da
  • ChemSpider ID22378483

  • Charge - Charge

More details:

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

3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-(1-hydroxy-3-methylbutyl)-4-methyl-1,3-thiazol-3-ium
3-Methyl-1-hydroxybutyl-ThPP
3-Methyl-1-hydroxybutyl-TPP
C15974

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 11
#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:

Click to predict properties on the Chemicalize site


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