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Search term: VFNZJTWWZVYTGA-FQEVSTJZSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]phenyl]propanoic acid | C25H23Cl2N3O5

(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethoxy]phenyl]propanoic acid

  • Molecular FormulaC25H23Cl2N3O5
  • Average mass516.373 Da
  • Monoisotopic mass515.101501 Da
  • ChemSpider ID28507176
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Tyrosine, N-(2,6-dichlorobenzoyl)-O-[2-(3,4-dihydro-2H-pyrido[3,2-b]-1,4-oxazin-6-yl)ethyl]- [ACD/Index Name]
N-(2,6-Dichlorbenzoyl)-O-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethyl]-L-tyrosin [German] [ACD/IUPAC Name]
N-(2,6-Dichlorobenzoyl)-O-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)ethyl]-L-tyrosine [ACD/IUPAC Name]
N-(2,6-Dichlorobenzoyl)-O-[2-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)éthyl]-L-tyrosine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 399.0±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 6.98
ACD/KOC (pH 5.5): 27.25
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 6.88
ACD/KOC (pH 7.4): 26.84
Polar Surface Area: 110 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 370.7±3.0 cm3

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