ChemSpider 2D Image | Nalpha-{(2S)-3-[Hydroxy(phenyl)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tryptophanamide | C30H29N4O5P

Nα-{(2S)-3-[Hydroxy(phenyl)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tryptophanamide

  • Molecular FormulaC30H29N4O5P
  • Average mass556.549 Da
  • Monoisotopic mass556.187561 Da
  • ChemSpider ID17286393

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Nα-{(2s)-3-[(S)-Hydroxy(Phenyl)phosphoryl]-2-[(3-Phenylisoxazol-5-Yl)methyl]propanoyl}-L-Tryptophanamide
Nα-{(2S)-3-[Hydroxy(phenyl)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
Nα-{(2S)-3-[Hydroxy(phenyl)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tryptophanamide [ACD/IUPAC Name]
Nα-{(2S)-3-[Hydroxy(phényl)phosphoryl]-2-[(3-phényl-1,2-oxazol-5-yl)méthyl]propanoyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
Phosphinic acid, P-[(2S)-3-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]-3-oxo-2-[(3-phenyl-5-isoxazolyl)methyl]propyl]-P-phenyl- [ACD/Index Name]
5MR

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1001.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.1±3.0 kJ/mol
Flash Point: 559.5±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 398.6±5.0 cm3

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