ChemSpider 2D Image | Ethyl 3-phosphonoalaninate | C5H12NO5P

Ethyl 3-phosphonoalaninate

  • Molecular FormulaC5H12NO5P
  • Average mass197.126 Da
  • Monoisotopic mass197.045303 Da
  • ChemSpider ID26546101

More details:

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

3-Phosphonoalaninate d'éthyle [French] [ACD/IUPAC Name]
Alanine, 3-phosphono-, ethyl ester [ACD/Index Name]
Ethyl 3-phosphonoalaninate [ACD/IUPAC Name]
Ethyl-3-phosphonoalaninat [German] [ACD/IUPAC Name]
(2-AMINO-3-ETHOXY-3-OXOPROPYL)PHOSPHONIC ACID
1261850-21-8 [RN]
180286-55-9 [RN]
2-(ETHOXYCARBONYL)-2-AMINOETHYL DIHYDROGEN PHOSPHATE
2-(ethoxycarbonyl)-2-aminoethylphosphonic acid
2-AMINO-3-ETHOXY-3-OXOPROPYLPHOSPHONIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 387.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.9±6.0 kJ/mol
Flash Point: 188.3±30.7 °C
Index of Refraction: 1.499
Molar Refractivity: 40.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -4.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 137.8±3.0 cm3

Click to predict properties on the Chemicalize site


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