ChemSpider 2D Image | N-[(5S)-5-(Benzoylamino)-4,4-dihydroxy-6-phenylhexanoyl]-L-tryptophan | C30H31N3O6

N-[(5S)-5-(Benzoylamino)-4,4-dihydroxy-6-phenylhexanoyl]-L-tryptophan

  • Molecular FormulaC30H31N3O6
  • Average mass529.584 Da
  • Monoisotopic mass529.221313 Da
  • ChemSpider ID25061198

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Tryptophan, N-[(5S)-5-(benzoylamino)-4,4-dihydroxy-1-oxo-6-phenylhexyl]- [ACD/Index Name]
N-[(5S)-5-(Benzoylamino)-4,4-dihydroxy-6-phenylhexanoyl]-L-tryptophan [ACD/IUPAC Name]
N-[(5S)-5-(Benzoylamino)-4,4-dihydroxy-6-phenylhexanoyl]-L-tryptophan [German] [ACD/IUPAC Name]
N-[(5S)-5-(Benzoylamino)-4,4-dihydroxy-6-phénylhexanoyl]-L-tryptophane [French] [ACD/IUPAC Name]
N-{(5s)-4,4-Dihydroxy-6-Phenyl-5-[(Phenylcarbonyl)amino]hexanoyl}-L-Tryptophan
KAW

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

Density: 1.4±0.1 g/cm3
Boiling Point: 949.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 528.2±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 14.38
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 392.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement