ChemSpider 2D Image | N-[(2S)-3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-(4-biphenylylmethyl)propanoyl]-L-alanine | C21H27N2O5P

N-[(2S)-3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-(4-biphenylylmethyl)propanoyl]-L-alanine

  • Molecular FormulaC21H27N2O5P
  • Average mass418.423 Da
  • Monoisotopic mass418.165771 Da
  • ChemSpider ID25031869

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Alanine, N-[(2S)-3-[(1-aminoethyl)hydroxyphosphinyl]-2-([1,1'-biphenyl]-4-ylmethyl)-1-oxopropyl]- [ACD/Index Name]
N-[(2S)-3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-(4-biphenylylmethyl)propanoyl]-L-alanin [German] [ACD/IUPAC Name]
N-[(2S)-3-[(1-Aminoethyl)(hydroxy)phosphoryl]-2-(4-biphenylylmethyl)propanoyl]-L-alanine [ACD/IUPAC Name]
N-[(2S)-3-[(1-Aminoéthyl)(hydroxy)phosphoryl]-2-(4-biphénylylméthyl)propanoyl]-L-alanine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 784.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.2±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 330.1±3.0 cm3

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