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Search term: XUISHROIRBHOIM-QFIPXVFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(2,6-Dichlorobenzoyl)-O-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-L-tyrosine | C26H25Cl2N3O4

N-(2,6-Dichlorobenzoyl)-O-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-L-tyrosine

  • Molecular FormulaC26H25Cl2N3O4
  • Average mass514.400 Da
  • Monoisotopic mass513.122192 Da
  • ChemSpider ID28511300

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-(2,6-Dichlorbenzoyl)-O-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-L-tyrosin [German] [ACD/IUPAC Name]
N-(2,6-Dichlorobenzoyl)-O-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-L-tyrosine [ACD/IUPAC Name]
N-(2,6-Dichlorobenzoyl)-O-[2-(5,6,7,8-tétrahydro-1,8-naphtyridin-2-yl)éthyl]-L-tyrosine [French] [ACD/IUPAC Name]
L-Tyrosine, N-(2,6-dichlorobenzoyl)-O-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 734.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 9.64
ACD/KOC (pH 5.5): 34.44
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 8.25
Polar Surface Area: 101 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 379.7±3.0 cm3

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