ChemSpider 2D Image | (2S)-2-[(2S)-3,4-Dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyethyl palmitate (non-preferred name) | C22H38O7

(2S)-2-[(2S)-3,4-Dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyethyl palmitate (non-preferred name)

  • Molecular FormulaC22H38O7
  • Average mass414.533 Da
  • Monoisotopic mass414.261749 Da
  • ChemSpider ID113607187
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-[(2S)-3,4-Dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyethyl palmitate (non-preferred name) [ACD/IUPAC Name]
(2S)-2-[(2S)-3,4-Dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyethylpalmitat (non-preferred name) [German] [ACD/IUPAC Name]
Palmitate de (2S)-2-[(2S)-3,4-dihydroxy-5-oxo-2,5-dihydro-2-furanyl]-2-hydroxyéthyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 164.4±23.6 °C
Index of Refraction: 1.521
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 222.02
ACD/KOC (pH 5.5): 570.97
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 5.84
ACD/KOC (pH 7.4): 15.03
Polar Surface Area: 113 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 360.2±3.0 cm3

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