ChemSpider 2D Image | Nalpha-[(2s)-2-{[[(1r)-1-Amino-3-Phenylpropyl](Hydroxy)phosphoryl]methyl}-4-Methylpentanoyl]-L-Tryptophanamide | C27H37N4O4P

Nα-[(2s)-2-{[[(1r)-1-Amino-3-Phenylpropyl](Hydroxy)phosphoryl]methyl}-4-Methylpentanoyl]-L-Tryptophanamide

  • Molecular FormulaC27H37N4O4P
  • Average mass512.581 Da
  • Monoisotopic mass512.255249 Da
  • ChemSpider ID35034202
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Nα-[(2S)-2-{[(R)-[(1R)-1-Amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
Nα-[(2S)-2-{[(R)-[(1R)-1-Amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamide [ACD/IUPAC Name]
Nα-[(2S)-2-{[(R)-[(1R)-1-Amino-3-phénylpropyl](hydroxy)phosphoryl]méthyl}-4-méthylpentanoyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
Nα-[(2s)-2-{[[(1r)-1-Amino-3-Phenylpropyl](Hydroxy)phosphoryl]methyl}-4-Methylpentanoyl]-L-Tryptophanamide
Phosphinic acid, P-[(1R,2S)-2-[[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-4-methylpentyl]-P-[(1R,1R)-1-amino-3-phenylpropyl]-, (R)- [ACD/Index Name]
P52

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 888.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 491.3±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.29
Polar Surface Area: 161 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 410.5±3.0 cm3

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