ChemSpider 2D Image | (2S)-2-[(2S)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl]-2-hydroxyethyl palmitate | C22H40O7

(2S)-2-[(2S)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl]-2-hydroxyethyl palmitate

  • Molecular FormulaC22H40O7
  • Average mass416.549 Da
  • Monoisotopic mass416.277405 Da
  • ChemSpider ID24689356
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(2S)-2-[(2S)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl]-2-hydroxyethyl palmitate [ACD/IUPAC Name]
(2S)-2-[(2S)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl]-2-hydroxyethylpalmitat [German] [ACD/IUPAC Name]
Palmitate de (2S)-2-[(2S)-3,4-dihydroxy-5-oxotétrahydro-2-furanyl]-2-hydroxyéthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 174.1±23.6 °C
Index of Refraction: 1.505
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4590.32
ACD/KOC (pH 5.5): 14545.90
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4590.16
ACD/KOC (pH 7.4): 14545.38
Polar Surface Area: 113 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 370.9±3.0 cm3

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