ChemSpider 2D Image | 5-Hydroxy-4-[4-(methoxycarbonyl)-5,5-dimethyl-1,3-thiazolidin-3-ium-2-yl]-6-methyl-3-pyridinyl phosphate | C13H18N2O7PS

5-Hydroxy-4-[4-(methoxycarbonyl)-5,5-dimethyl-1,3-thiazolidin-3-ium-2-yl]-6-methyl-3-pyridinyl phosphate

  • Molecular FormulaC13H18N2O7PS
  • Average mass377.331 Da
  • Monoisotopic mass377.057770 Da
  • ChemSpider ID21214481

  • Charge - Charge

More details:

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

5-Hydroxy-4-[4-(methoxycarbonyl)-5,5-dimethyl-1,3-thiazolidin-3-ium-2-yl]-6-methyl-3-pyridinyl phosphate [ACD/IUPAC Name]
5-Hydroxy-4-[4-(methoxycarbonyl)-5,5-dimethyl-1,3-thiazolidin-3-ium-2-yl]-6-methyl-3-pyridinylphosphat [German] [ACD/IUPAC Name]
Phosphate de 5-hydroxy-4-[4-(méthoxycarbonyl)-5,5-diméthyl-1,3-thiazolidin-3-ium-2-yl]-6-méthyl-3-pyridinyle [French] [ACD/IUPAC Name]
Thiazolidinium, 2-[3-hydroxy-2-methyl-5-(phosphonooxy)-4-pyridinyl]-4-(methoxycarbonyl)-5,5-dimethyl-, inner salt, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 574.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.3±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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