ChemSpider 2D Image | (2R)-2-Amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxy-2-butanyl]amino}heptanoic acid | C11H19F3N2O4

(2R)-2-Amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxy-2-butanyl]amino}heptanoic acid

  • Molecular FormulaC11H19F3N2O4
  • Average mass300.275 Da
  • Monoisotopic mass300.129700 Da
  • ChemSpider ID35034413

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-Amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluor-3-hydroxy-2-butanyl]amino}heptansäure [German] [ACD/IUPAC Name]
(2R)-2-Amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxy-2-butanyl]amino}heptanoic acid [ACD/IUPAC Name]
(2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid
Acide (2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxy-2-butanyl]amino}heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2-amino-7-oxo-7-[[(1R,2S)-3,3,3-trifluoro-2-hydroxy-1-methylpropyl]amino]-, (2R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 512.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 263.7±30.1 °C
Index of Refraction: 1.467
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


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