ChemSpider 2D Image | [(3S,4S)-4-Hydroxy-5-oxotetrahydro-3-furanyl]methyl (2E)-3-[(2S,3R)-3-methyl-2-oxiranyl]acrylate | C11H14O6

[(3S,4S)-4-Hydroxy-5-oxotetrahydro-3-furanyl]methyl (2E)-3-[(2S,3R)-3-methyl-2-oxiranyl]acrylate

  • Molecular FormulaC11H14O6
  • Average mass242.225 Da
  • Monoisotopic mass242.079041 Da
  • ChemSpider ID78437651

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-3-[(2S,3R)-3-Méthyl-2-oxiranyl]acrylate de [(3S,4S)-4-hydroxy-5-oxotétrahydro-3-furanyl]méthyle [French] [ACD/IUPAC Name]
[(3S,4S)-4-Hydroxy-5-oxotetrahydro-3-furanyl]methyl (2E)-3-[(2S,3R)-3-methyl-2-oxiranyl]acrylate [ACD/IUPAC Name]
[(3S,4S)-4-Hydroxy-5-oxotetrahydro-3-furanyl]methyl-(2E)-3-[(2S,3R)-3-methyl-2-oxiranyl]acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[(2S,3R)-3-methyloxiranyl]-, [(3S,4S)-tetrahydro-4-hydroxy-5-oxo-3-furanyl]methyl ester, (2E)- [ACD/Index Name]
Dihydro-4-[4,5-epoxy-1-oxohex-2-enyloxymethyl]-3-hydroxy-2(3H)-furanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 434.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±6.0 kJ/mol
Flash Point: 171.2±18.1 °C
Index of Refraction: 1.594
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.39
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.39
Polar Surface Area: 85 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 169.4±3.0 cm3

Click to predict properties on the Chemicalize site


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