ChemSpider 2D Image | (1S,2S)-2-Hydroxy-2-[(2S,3R)-3-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-phenylethyl (2E)-3-phenylacrylate | C22H20O6

(1S,2S)-2-Hydroxy-2-[(2S,3R)-3-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-phenylethyl (2E)-3-phenylacrylate

  • Molecular FormulaC22H20O6
  • Average mass380.391 Da
  • Monoisotopic mass380.125977 Da
  • ChemSpider ID30651679

  • 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

(1S,2S)-2-Hydroxy-2-[(2S,3R)-3-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-phenylethyl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(1S,2S)-2-Hydroxy-2-[(2S,3R)-3-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-phenylethyl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2E)-3-Phénylacrylate de (1S,2S)-2-hydroxy-2-[(2S,3R)-3-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-phényléthyle [French] [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: 568.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 199.2±23.6 °C
Index of Refraction: 1.646
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.02
ACD/KOC (pH 5.5): 452.65
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.01
ACD/KOC (pH 7.4): 452.62
Polar Surface Area: 93 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 284.2±3.0 cm3

Click to predict properties on the Chemicalize site


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