Found 505 results

Search term: MF = 'C_{13}H_{19}ClN_{2}O_{4}'
ChemSpider 2D Image | 3-(3-Chloro-1,2-oxazol-5-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]-1-propanone | C13H19ClN2O4

3-(3-Chloro-1,2-oxazol-5-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]-1-propanone

  • Molecular FormulaC13H19ClN2O4
  • Average mass302.754 Da
  • Monoisotopic mass302.103333 Da
  • ChemSpider ID29533328

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Propanone, 3-(3-chloro-5-isoxazolyl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]- [ACD/Index Name]
3-(3-Chlor-1,2-oxazol-5-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]-1-propanon [German] [ACD/IUPAC Name]
3-(3-Chloro-1,2-oxazol-5-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]-1-propanone [ACD/IUPAC Name]
3-(3-Chloro-1,2-oxazol-5-yl)-1-[(3R,4R)-4-éthyl-3,4-dihydroxy-1-pipéridinyl]-1-propanone [French] [ACD/IUPAC Name]
(3R*,4R*)-1-[3-(3-chloroisoxazol-5-yl)propanoyl]-4-ethylpiperidine-3,4-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4533206/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.6±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 47.37
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 47.37
Polar Surface Area: 87 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 223.9±3.0 cm3

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