ChemSpider 2D Image | Methyl (2S)-amino[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]acetate | C6H9BrN2O3

Methyl (2S)-amino[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]acetate

  • Molecular FormulaC6H9BrN2O3
  • Average mass237.051 Da
  • Monoisotopic mass235.979645 Da
  • ChemSpider ID58115602

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-Amino[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]acétate de méthyle [French] [ACD/IUPAC Name]
5-Isoxazoleacetic acid, α-amino-3-bromo-4,5-dihydro-, methyl ester, (αS,5S)- [ACD/Index Name]
Methyl (2S)-amino[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]acetate [ACD/IUPAC Name]
Methyl-(2S)-amino[(5S)-3-brom-4,5-dihydro-1,2-oxazol-5-yl]acetat [German] [ACD/IUPAC Name]
1403607-07-7 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 270.9±36.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 117.7±26.2 °C
Index of Refraction: 1.621
Molar Refractivity: 43.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.41
Polar Surface Area: 74 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 124.0±7.0 cm3

Click to predict properties on the Chemicalize site


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