ChemSpider 2D Image | [4-(3,3-Dihydroxy-2-iminopropyl)-1H-imidazol-1-yl]phosphonic acid | C6H10N3O5P

[4-(3,3-Dihydroxy-2-iminopropyl)-1H-imidazol-1-yl]phosphonic acid

  • Molecular FormulaC6H10N3O5P
  • Average mass235.135 Da
  • Monoisotopic mass235.035812 Da
  • ChemSpider ID95619139

More details:

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

[4-(3,3-Dihydroxy-2-iminopropyl)-1H-imidazol-1-yl]phosphonic acid [ACD/IUPAC Name]
[4-(3,3-Dihydroxy-2-iminopropyl)-1H-imidazol-1-yl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [4-(3,3-dihydroxy-2-iminopropyl)-1H-imidazol-1-yl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [4-(3,3-dihydroxy-2-iminopropyl)-1H-imidazol-1-yl]- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 663.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 354.8±34.3 °C
Index of Refraction: 1.727
Molar Refractivity: 47.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.98
ACD/LogD (pH 5.5): -6.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 115.4±7.0 dyne/cm
Molar Volume: 119.9±7.0 cm3

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