ChemSpider 2D Image | N-[(1R)-1-Carboxy-3-methylbutyl]-3-(3,5-dichlorobenzyl)-L-histidine | C19H23Cl2N3O4

N-[(1R)-1-Carboxy-3-methylbutyl]-3-(3,5-dichlorobenzyl)-L-histidine

  • Molecular FormulaC19H23Cl2N3O4
  • Average mass428.310 Da
  • Monoisotopic mass427.106567 Da
  • ChemSpider ID114869286

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Histidine, N-[(1R)-1-carboxy-3-methylbutyl]-3-[(3,5-dichlorophenyl)methyl]- [ACD/Index Name]
N-[(1R)-1-Carboxy-3-methylbutyl]-3-(3,5-dichlorbenzyl)-L-histidin [German] [ACD/IUPAC Name]
N-[(1R)-1-Carboxy-3-methylbutyl]-3-(3,5-dichlorobenzyl)-L-histidine [ACD/IUPAC Name]
N-[(1R)-1-Carboxy-3-méthylbutyl]-3-(3,5-dichlorobenzyl)-L-histidine [French] [ACD/IUPAC Name]
(R)-MLN-4760
305335-29-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.6±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 307.5±7.0 cm3

Click to predict properties on the Chemicalize site


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