ChemSpider 2D Image | Diethyl [5-hydroxy-1-(3-hydroxypropyl)-3-(methylsulfonyl)-1H-pyrazol-4-yl]phosphonate | C11H21N2O7PS

Diethyl [5-hydroxy-1-(3-hydroxypropyl)-3-(methylsulfonyl)-1H-pyrazol-4-yl]phosphonate

  • Molecular FormulaC11H21N2O7PS
  • Average mass356.332 Da
  • Monoisotopic mass356.080719 Da
  • ChemSpider ID122672058

More details:

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

[5-Hydroxy-1-(3-hydroxypropyl)-3-(méthylsulfonyl)-1H-pyrazol-4-yl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [5-hydroxy-1-(3-hydroxypropyl)-3-(methylsulfonyl)-1H-pyrazol-4-yl]phosphonate [ACD/IUPAC Name]
Diethyl-[5-hydroxy-1-(3-hydroxypropyl)-3-(methylsulfonyl)-1H-pyrazol-4-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[5-hydroxy-1-(3-hydroxypropyl)-3-(methylsulfonyl)-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: 1.5±0.1 g/cm3
Boiling Point: 594.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.5±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 79.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -2.67
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.98
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 239.7±7.0 cm3

Click to predict properties on the Chemicalize site


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