ChemSpider 2D Image | N-(4-Phosphonophenyl)-L-alanine | C9H12NO5P

N-(4-Phosphonophenyl)-L-alanine

  • Molecular FormulaC9H12NO5P
  • Average mass245.169 Da
  • Monoisotopic mass245.045303 Da
  • ChemSpider ID21587176

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-(4-phosphonophenyl)- [ACD/Index Name]
N-(4-Phosphonophenyl)-L-alanin [German] [ACD/IUPAC Name]
N-(4-Phosphonophenyl)-L-alanine [ACD/IUPAC Name]
N-(4-Phosphonophényl)-L-alanine [French] [ACD/IUPAC Name]
(S)-2-(4-Phosphono-phenylamino)-propionic acid
(S)-α-methyl-4-phosphonophenylglycine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 565.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.6±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 55.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -4.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 163.0±5.0 cm3

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