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Search term: CWNDERHTHMWBSI-YFKPBYRVSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | (2S)-2-Ammonio-3-(1H-imidazol-4-yl)propyl phosphate | C6H11N3O4P

(2S)-2-Ammonio-3-(1H-imidazol-4-yl)propyl phosphate

  • Molecular FormulaC6H11N3O4P
  • Average mass220.144 Da
  • Monoisotopic mass220.049271 Da
  • ChemSpider ID26330992
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Ammonio-3-(1H-imidazol-4-yl)propyl phosphate [ACD/IUPAC Name]
(2S)-2-Ammonio-3-(1H-imidazol-4-yl)propylphosphat [German] [ACD/IUPAC Name]
1H-Imidazole-4-propanol, β-amino-, dihydrogen phosphate (ester), inner salt, ion(1-), (βS)- [ACD/Index Name]
Phosphate de (2S)-2-ammonio-3-(1H-imidazol-4-yl)propyle [French] [ACD/IUPAC Name]
(2S)-2-azaniumyl-3-(1H-imidazol-4-yl)propyl phosphate
Histidinol phosphate
L-Histidinol phosphate
L-histidinol phosphate anion
  • Miscellaneous
    • Chemical Class:

      Conjugate base of L-histidinol phosphate having an anionic phosphate and a catoinic amino group; major species at pH 7.3. ChEBI CHEBI:57980

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

Boiling Point: 596.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.43
ACD/LogD (pH 5.5): -5.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Surface Tension:
Molar Volume:

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