ChemSpider 2D Image | Diethyl [5-hydroxy-1-(3-methoxy-4-pyridinyl)-3-(methylsulfanyl)-1H-pyrazol-4-yl]phosphonate | C14H20N3O5PS

Diethyl [5-hydroxy-1-(3-methoxy-4-pyridinyl)-3-(methylsulfanyl)-1H-pyrazol-4-yl]phosphonate

  • Molecular FormulaC14H20N3O5PS
  • Average mass373.365 Da
  • Monoisotopic mass373.086121 Da
  • ChemSpider ID122715981

More details:

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

[5-Hydroxy-1-(3-méthoxy-4-pyridinyl)-3-(méthylsulfanyl)-1H-pyrazol-4-yl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [5-hydroxy-1-(3-methoxy-4-pyridinyl)-3-(methylsulfanyl)-1H-pyrazol-4-yl]phosphonate [ACD/IUPAC Name]
Diethyl-[5-hydroxy-1-(3-methoxy-4-pyridinyl)-3-(methylsulfanyl)-1H-pyrazol-4-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[5-hydroxy-1-(3-methoxy-4-pyridinyl)-3-(methylthio)-1H-pyrazol-4-yl]-, diethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 278.0±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 91.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.26
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 266.7±7.0 cm3

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