ChemSpider 2D Image | N-{(2S)-3-[(4-Bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine | C29H32BrN4O10P

N-{(2S)-3-[(4-Bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-α-glutamyl-L-α-glutamine

  • Molecular FormulaC29H32BrN4O10P
  • Average mass707.463 Da
  • Monoisotopic mass706.103943 Da
  • ChemSpider ID29396428

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-α-Glutamine, N-[(2S)-3-[(4-bromophenyl)hydroxyphosphinyl]-1-oxo-2-[(3-phenyl-5-isoxazolyl)methyl]propyl]-L-α-glutamyl- [ACD/Index Name]
N-{(2S)-3-[(4-Bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-α-glutamyl-L-α-glutamine [ACD/IUPAC Name]
N-{(2S)-3-[(4-Bromophényl)(hydroxy)phosphoryl]-2-[(3-phényl-1,2-oxazol-5-yl)méthyl]propanoyl}-L-α-glutamyl-L-α-glutamine [French] [ACD/IUPAC Name]
N-{(2S)-3-[(4-Bromphenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-α-glutamyl-L-α-glutamin [German] [ACD/IUPAC Name]
N-{(2s)-3-[(S)-(4-Bromophenyl)(Hydroxy)phosphoryl]-2-[(3-Phenyl-1,2-Oxazol-5-Yl)methyl]propanoyl}-L-α-Glutamyl-L-α-Glutamine
R45

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1167.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.8±3.0 kJ/mol
Flash Point: 660.0±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -5.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 445.6±5.0 cm3

Click to predict properties on the Chemicalize site


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