ChemSpider 2D Image | Ethyl (2S,4R)-1-[(2-methyl-2-propanyl)sulfonyl]-2-{[(3S)-2-oxo-3-pyrrolidinyl]oxy}-1,2,3,4-tetrahydro-4-pyridinecarboxylate | C16H26N2O6S

Ethyl (2S,4R)-1-[(2-methyl-2-propanyl)sulfonyl]-2-{[(3S)-2-oxo-3-pyrrolidinyl]oxy}-1,2,3,4-tetrahydro-4-pyridinecarboxylate

  • Molecular FormulaC16H26N2O6S
  • Average mass374.452 Da
  • Monoisotopic mass374.151154 Da
  • ChemSpider ID30659993

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4R)-1-[(2-Méthyl-2-propanyl)sulfonyl]-2-{[(3S)-2-oxo-3-pyrrolidinyl]oxy}-1,2,3,4-tétrahydro-4-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 1-[(1,1-dimethylethyl)sulfonyl]-1,2,3,4-tetrahydro-2-[[(3S)-2-oxo-3-pyrrolidinyl]oxy]-, ethyl ester, (2S,4R)- [ACD/Index Name]
Ethyl (2S,4R)-1-[(2-methyl-2-propanyl)sulfonyl]-2-{[(3S)-2-oxo-3-pyrrolidinyl]oxy}-1,2,3,4-tetrahydro-4-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-(2S,4R)-1-[(2-methyl-2-propanyl)sulfonyl]-2-{[(3S)-2-oxo-3-pyrrolidinyl]oxy}-1,2,3,4-tetrahydro-4-pyridincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.547
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.87
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.22
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.22
Polar Surface Area: 110 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 289.9±5.0 cm3

Click to predict properties on the Chemicalize site


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