ChemSpider 2D Image | (2S,3R,4S)-4-Hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]tetrahydro-3-furanyl palmitate | C24H44O7

(2S,3R,4S)-4-Hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]tetrahydro-3-furanyl palmitate

  • Molecular FormulaC24H44O7
  • Average mass444.602 Da
  • Monoisotopic mass444.308716 Da
  • ChemSpider ID24839133

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4S)-4-Hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]tetrahydro-3-furanyl palmitate [ACD/IUPAC Name]
(2S,3R,4S)-4-Hydroxy-2-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]tetrahydro-3-furanylpalmitat [German] [ACD/IUPAC Name]
Palmitate de (2S,3R,4S)-4-hydroxy-2-[2-(hydroxyméthyl)-1,3-dioxolan-2-yl]tétrahydro-3-furanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 175.3±23.6 °C
Index of Refraction: 1.504
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 86346.16
ACD/KOC (pH 5.5): 118834.38
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 86346.07
ACD/KOC (pH 7.4): 118834.25
Polar Surface Area: 94 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 402.7±5.0 cm3

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