ChemSpider 2D Image | (2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexen-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinecarbaldehyde | C15H22FNO4

(2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexen-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinecarbaldehyde

  • Molecular FormulaC15H22FNO4
  • Average mass299.338 Da
  • Monoisotopic mass299.153290 Da
  • ChemSpider ID25059094

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexen-1-yl(hydroxy)methyl]-4-(2-fluorethyl)-3-hydroxy-3-methyl-5-oxo-2-pyrrolidincarbaldehyd [German] [ACD/IUPAC Name]
(2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexen-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxo-2-pyrrolidinecarbaldehyde [ACD/IUPAC Name]
(2R,3S,4R)-2-[(S)-(1S)-2-Cyclohexén-1-yl(hydroxy)méthyl]-4-(2-fluoroéthyl)-3-hydroxy-3-méthyl-5-oxo-2-pyrrolidinecarbaldéhyde [French] [ACD/IUPAC Name]
(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
2-Pyrrolidinecarboxaldehyde, 2-[(S)-(1S)-2-cyclohexen-1-ylhydroxymethyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxo-, (2R,3S,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 525.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 271.6±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.53
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.53
Polar Surface Area: 87 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 233.6±3.0 cm3

Click to predict properties on the Chemicalize site


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