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Search term: DKGUWMFQYQOPSO-HNNXBMFYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Amino-2-[(4-{[3-({2-[(1S)-1-hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]ethynyl}phenoxy)methyl]-1,3-propanediol | C21H24N4O5

2-Amino-2-[(4-{[3-({2-[(1S)-1-hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]ethynyl}phenoxy)methyl]-1,3-propanediol

  • Molecular FormulaC21H24N4O5
  • Average mass412.439 Da
  • Monoisotopic mass412.174683 Da
  • ChemSpider ID115009291

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Propanediol, 2-amino-2-[[4-[2-[3-[[2-[(1S)-1-hydroxyethyl]-1H-imidazol-1-yl]methyl]-5-isoxazolyl]ethynyl]phenoxy]methyl]- [ACD/Index Name]
2-Amino-2-[(4-{[3-({2-[(1S)-1-hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]ethinyl}phenoxy)methyl]-1,3-propandiol [German] [ACD/IUPAC Name]
2-Amino-2-[(4-{[3-({2-[(1S)-1-hydroxyethyl]-1H-imidazol-1-yl}methyl)-1,2-oxazol-5-yl]ethynyl}phenoxy)methyl]-1,3-propanediol [ACD/IUPAC Name]
2-Amino-2-[(4-{[3-({2-[(1S)-1-hydroxyéthyl]-1H-imidazol-1-yl}méthyl)-1,2-oxazol-5-yl]éthynyl}phénoxy)méthyl]-1,3-propanediol [French] [ACD/IUPAC Name]
2253951-38-9 [RN]
2-amino-2-[[4-[2-[3-[[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol
LpxC-IN-5

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.2±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.13
Polar Surface Area: 140 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 311.2±7.0 cm3

Click to predict properties on the Chemicalize site


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