ChemSpider 2D Image | (3R,4R)-4-Ethyl-1-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-piperidinediol | C13H23N3O4

(3R,4R)-4-Ethyl-1-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-piperidinediol

  • Molecular FormulaC13H23N3O4
  • Average mass285.339 Da
  • Monoisotopic mass285.168854 Da
  • ChemSpider ID29446976

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-4-Ethyl-1-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-piperidindiol [German] [ACD/IUPAC Name]
(3R,4R)-4-Ethyl-1-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-3,4-piperidinediol [ACD/IUPAC Name]
(3R,4R)-4-Éthyl-1-{[3-(2-méthoxyéthyl)-1,2,4-oxadiazol-5-yl]méthyl}-3,4-pipéridinediol [French] [ACD/IUPAC Name]
3,4-Piperidinediol, 4-ethyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-, (3R,4R)- [ACD/Index Name]
(3R*,4R*)-4-ethyl-1-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-3,4-diol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4518676/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 446.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 224.0±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.41
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.37
Polar Surface Area: 92 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 230.7±3.0 cm3

Click to predict properties on the Chemicalize site


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