ChemSpider 2D Image | (2S)-2-Amino-4-{[(3-cyanophenyl)(hydroxy)methyl](hydroxy)phosphoryl}butanoic acid | C12H15N2O5P

(2S)-2-Amino-4-{[(3-cyanophenyl)(hydroxy)methyl](hydroxy)phosphoryl}butanoic acid

  • Molecular FormulaC12H15N2O5P
  • Average mass298.232 Da
  • Monoisotopic mass298.071869 Da
  • ChemSpider ID76790290

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-Amino-4-{[(3-cyanophenyl)(hydroxy)methyl](hydroxy)phosphoryl}butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-{[(3-cyanphenyl)(hydroxy)methyl](hydroxy)phosphoryl}butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-{[(3-cyanophényl)(hydroxy)méthyl](hydroxy)phosphoryl}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[[(3-cyanophenyl)hydroxymethyl]hydroxyphosphinyl]-, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 685.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.5±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 202.2±5.0 cm3

Click to predict properties on the Chemicalize site


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