ChemSpider 2D Image | 3-(1H-Imidazol-4-yl)-2-oxopropyl phosphate | C6H7N2O5P

3-(1H-Imidazol-4-yl)-2-oxopropyl phosphate

  • Molecular FormulaC6H7N2O5P
  • Average mass218.105 Da
  • Monoisotopic mass218.010361 Da
  • ChemSpider ID24785294

  • Charge - Charge

More details:

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

2-Propanone, 1-(1H-imidazol-4-yl)-3-(phosphonooxy)-, ion(2-) [ACD/Index Name]
3-(1H-Imidazol-4-yl)-2-oxopropyl phosphate [ACD/IUPAC Name]
3-(1H-Imidazol-4-yl)-2-oxopropylphosphat [German] [ACD/IUPAC Name]
Phosphate de 3-(1H-imidazol-4-yl)-2-oxopropyle [French] [ACD/IUPAC Name]
3-(imidazol-4-yl)-2-oxopropyl phosphate
3-(imidazol-4-yl)-2-oxopropyl phosphate dianion
3-(imidazol-4-yl)-2-oxopropyl phosphate(2-)
imidazole acetol-P
imidazole acetol-P*3-(imidazol-4-yl)-2-oxopropyl phosphate
imidazole acetol-phosphate
  • Miscellaneous

    • Chemical Class:

      Dianion of 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3. ChEBI CHEBI:57766

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

Density:
Boiling Point: 567.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.44
ACD/LogD (pH 5.5): -5.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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