ChemSpider 2D Image | (2S)-Amino[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]acetic acid | C5H7ClN2O4

(2S)-Amino[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]acetic acid

  • Molecular FormulaC5H7ClN2O4
  • Average mass194.573 Da
  • Monoisotopic mass194.009430 Da
  • ChemSpider ID78437854

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S)-Amino[(4S,5R)-3-chlor-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]essigsäure [German] [ACD/IUPAC Name]
(2S)-Amino[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]acetic acid [ACD/IUPAC Name]
5-Isoxazoleacetic acid, α-amino-3-chloro-4,5-dihydro-4-hydroxy-, (αS,4S,5R)- [ACD/Index Name]
Acide (2S)-amino[(4S,5R)-3-chloro-4-hydroxy-4,5-dihydro-1,2-oxazol-5-yl]acétique [French] [ACD/IUPAC Name]
U43795

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

Density: 2.1±0.1 g/cm3
Boiling Point: 418.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±6.0 kJ/mol
Flash Point: 207.2±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 36.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 85.3±7.0 dyne/cm
Molar Volume: 93.6±7.0 cm3

Click to predict properties on the Chemicalize site


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