ChemSpider 2D Image | N-({(1S)-1-Carboxy-5-[(4-iodobenzoyl)amino]pentyl}carbamoyl)-L-glutamic acid | C19H24IN3O8

N-({(1S)-1-Carboxy-5-[(4-iodobenzoyl)amino]pentyl}carbamoyl)-L-glutamic acid

  • Molecular FormulaC19H24IN3O8
  • Average mass549.314 Da
  • Monoisotopic mass549.060791 Da
  • ChemSpider ID23333230

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide N-({(1S)-1-carboxy-5-[(4-iodobenzoyl)amino]pentyl}carbamoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[[(1S)-1-carboxy-5-[(4-iodobenzoyl)amino]pentyl]amino]carbonyl]- [ACD/Index Name]
N-({(1S)-1-Carboxy-5-[(4-iodbenzoyl)amino]pentyl}carbamoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
N-({(1S)-1-Carboxy-5-[(4-iodobenzoyl)amino]pentyl}carbamoyl)-L-glutamic acid [ACD/IUPAC Name]
N-{[(1s)-1-Carboxy-5-{[(4-Iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-Glutamic Acid
(S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)ureido)pentanedioic acid
CHEMBL510924
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510924/
YC2

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

Density: 1.7±0.1 g/cm3
Boiling Point: 855.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.2±3.0 kJ/mol
Flash Point: 471.0±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 332.8±3.0 cm3

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