ChemSpider 2D Image | N-{[(1S)-5-{[2-(2-Acetamidoethoxy)-4-bromobenzoyl]amino}-1-carboxypentyl]carbamoyl}-L-glutamic acid | C23H31BrN4O10

N-{[(1S)-5-{[2-(2-Acetamidoethoxy)-4-bromobenzoyl]amino}-1-carboxypentyl]carbamoyl}-L-glutamic acid

  • Molecular FormulaC23H31BrN4O10
  • Average mass603.417 Da
  • Monoisotopic mass602.122375 Da
  • ChemSpider ID35033899

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide N-{[(1S)-5-{[2-(2-acétamidoéthoxy)-4-bromobenzoyl]amino}-1-carboxypentyl]carbamoyl}-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[[(1S)-5-[[2-[2-(acetylamino)ethoxy]-4-bromobenzoyl]amino]-1-carboxypentyl]amino]carbonyl]- [ACD/Index Name]
N-{[(1s)-5-({2-[2-(Acetylamino)ethoxy]-4-Bromobenzoyl}amino)-1-Carboxypentyl]carbamoyl}-L-Glutamic Acid
N-{[(1S)-5-{[2-(2-Acetamidoethoxy)-4-brombenzoyl]amino}-1-carboxypentyl]carbamoyl}-L-glutaminsäure [German] [ACD/IUPAC Name]
N-{[(1S)-5-{[2-(2-Acetamidoethoxy)-4-bromobenzoyl]amino}-1-carboxypentyl]carbamoyl}-L-glutamic acid [ACD/IUPAC Name]
J21

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

Density: 1.5±0.1 g/cm3
Boiling Point: 955.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 531.7±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -4.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 406.4±3.0 cm3

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