ChemSpider 2D Image | N-[(2S)-3-{[(1S)-1-Amino-2-phenylethyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]-L-alanine | C27H31N2O5P

N-[(2S)-3-{[(1S)-1-Amino-2-phenylethyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]-L-alanine

  • Molecular FormulaC27H31N2O5P
  • Average mass494.519 Da
  • Monoisotopic mass494.197052 Da
  • ChemSpider ID25033266

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alanine, N-[(2S)-3-[[(1S)-1-amino-2-phenylethyl]hydroxyphosphinyl]-2-([1,1'-biphenyl]-4-ylmethyl)-1-oxopropyl]- [ACD/Index Name]
N-[(2S)-3-{[(1S)-1-Amino-2-phenylethyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]-L-alanin [German] [ACD/IUPAC Name]
N-[(2S)-3-{[(1S)-1-Amino-2-phenylethyl](hydroxy)phosphoryl}-2-(4-biphenylylmethyl)propanoyl]-L-alanine [ACD/IUPAC Name]
N-[(2S)-3-{[(1S)-1-Amino-2-phényléthyl](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: 850.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.5±3.0 kJ/mol
Flash Point: 468.2±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 134.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 390.8±3.0 cm3

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