ChemSpider 2D Image | 3-[1-(2-Phosphonoethyl)-1H-1,2,3-triazol-4-yl]-D-alanine | C7H13N4O5P

3-[1-(2-Phosphonoethyl)-1H-1,2,3-triazol-4-yl]-D-alanine

  • Molecular FormulaC7H13N4O5P
  • Average mass264.176 Da
  • Monoisotopic mass264.062347 Da
  • ChemSpider ID92070715

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-1,2,3-Triazole-4-propanoic acid, α-amino-1-(2-phosphonoethyl)-, (αR)- [ACD/Index Name]
3-[1-(2-Phosphonoethyl)-1H-1,2,3-triazol-4-yl]-D-alanin [German] [ACD/IUPAC Name]
3-[1-(2-Phosphonoethyl)-1H-1,2,3-triazol-4-yl]-D-alanine [ACD/IUPAC Name]
3-[1-(2-Phosphonoéthyl)-1H-1,2,3-triazol-4-yl]-D-alanine [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 610.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 322.9±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 55.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -3.42
ACD/LogD (pH 5.5): -6.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 105.8±7.0 dyne/cm
Molar Volume: 140.7±7.0 cm3

Click to predict properties on the Chemicalize site


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