ChemSpider 2D Image | Heteroarylalanine 5-Phenyl Oxazole | C24H30N2O6

Heteroarylalanine 5-Phenyl Oxazole

  • Molecular FormulaC24H30N2O6
  • Average mass442.505 Da
  • Monoisotopic mass442.210388 Da
  • ChemSpider ID26327589
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-2-[(1-{[(1R)-1-Carboxy-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]carbamoyl}cyclopentyl)methyl]pentanoic acid [ACD/IUPAC Name]
(2R)-2-[(1-{[(1R)-1-Carboxy-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]carbamoyl}cyclopentyl)methyl]pentansäure [German] [ACD/IUPAC Name]
2-Oxazolepropanoic acid, α-[[[1-[(2R)-2-carboxypentyl]cyclopentyl]carbonyl]amino]-5-phenyl-, (αR)- [ACD/Index Name]
Acide (2R)-2-[(1-{[(1R)-1-carboxy-2-(5-phényl-1,3-oxazol-2-yl)éthyl]carbamoyl}cyclopentyl)méthyl]pentanoïque [French] [ACD/IUPAC Name]
Heteroarylalanine 5-Phenyl Oxazole
HA0

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

Density: 1.2±0.1 g/cm3
Boiling Point: 716.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 386.9±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 115.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 355.8±3.0 cm3

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