ChemSpider 2D Image | {1-Hydroxy-5-[(5-oxido-4-phenyl-1,2,5-oxadiazol-3-yl)oxy]-1,1-pentanediyl}bis(phosphonic acid) | C13H18N2O10P2

{1-Hydroxy-5-[(5-oxido-4-phenyl-1,2,5-oxadiazol-3-yl)oxy]-1,1-pentanediyl}bis(phosphonic acid)

  • Molecular FormulaC13H18N2O10P2
  • Average mass424.237 Da
  • Monoisotopic mass424.043671 Da
  • ChemSpider ID24671037

More details:

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

{1-Hydroxy-5-[(5-oxido-4-phenyl-1,2,5-oxadiazol-3-yl)oxy]-1,1-pentandiyl}bis(phosphonsäure) [German] [ACD/IUPAC Name]
{1-Hydroxy-5-[(5-oxido-4-phenyl-1,2,5-oxadiazol-3-yl)oxy]-1,1-pentanediyl}bis(phosphonic acid) [ACD/IUPAC Name]
Acide {1-hydroxy-5-[(5-oxydo-4-phényl-1,2,5-oxadiazol-3-yl)oxy]-1,1-pentanediyl}bis(phosphonique) [French] [ACD/IUPAC Name]
Phosphonic acid, [1-hydroxy-5-[(5-oxido-4-phenyl-1,2,5-oxadiazol-3-yl)oxy]pentylidene]bis- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 785.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 429.0±35.7 °C
Index of Refraction: 1.664
Molar Refractivity: 88.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -7.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 95.7±7.0 dyne/cm
Molar Volume: 237.8±7.0 cm3

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