ChemSpider 2D Image | {2-[4-(4-Hydroxytetrahydro-2H-pyran-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}phosphonic acid | C9H16N3O5P

{2-[4-(4-Hydroxytetrahydro-2H-pyran-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}phosphonic acid

  • Molecular FormulaC9H16N3O5P
  • Average mass277.214 Da
  • Monoisotopic mass277.082764 Da
  • ChemSpider ID85492887

More details:

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

{2-[4-(4-Hydroxytetrahydro-2H-pyran-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}phosphonic acid [ACD/IUPAC Name]
{2-[4-(4-Hydroxytetrahydro-2H-pyran-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {2-[4-(4-hydroxytétrahydro-2H-pyran-4-yl)-1H-1,2,3-triazol-1-yl]éthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[4-(tetrahydro-4-hydroxy-2H-pyran-4-yl)-1H-1,2,3-triazol-1-yl]ethyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 614.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.4±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 61.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -3.19
ACD/LogD (pH 5.5): -5.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 86.7±7.0 dyne/cm
Molar Volume: 162.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement