ChemSpider 2D Image | N-({(1S)-5-[Acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid | C21H28BrN3O8

N-({(1S)-5-[Acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid

  • Molecular FormulaC21H28BrN3O8
  • Average mass530.366 Da
  • Monoisotopic mass529.105957 Da
  • ChemSpider ID35033914
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Acide N-({(1S)-5-[acétyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[[(1S)-5-[acetyl[(4-bromophenyl)methyl]amino]-1-carboxypentyl]amino]carbonyl]- [ACD/Index Name]
N-({(1S)-5-[Acetyl(4-brombenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-({(1S)-5-[Acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid [ACD/IUPAC Name]
JB7

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

Density: 1.5±0.1 g/cm3
Boiling Point: 834.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.3±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -4.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 356.8±3.0 cm3

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