ChemSpider 2D Image | (2S)-2-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydro-3-furanyl palmitate (non-preferred name) | C22H38O7

(2S)-2-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydro-3-furanyl palmitate (non-preferred name)

  • Molecular FormulaC22H38O7
  • Average mass414.533 Da
  • Monoisotopic mass414.261749 Da
  • ChemSpider ID111307574

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydro-3-furanyl palmitate (non-preferred name) [ACD/IUPAC Name]
(2S)-2-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydro-3-furanylpalmitat (non-preferred name) [German] [ACD/IUPAC Name]
Palmitate de (2S)-2-[(1R)-1,2-dihydroxyéthyl]-4-hydroxy-5-oxo-2,5-dihydro-3-furanyle (non-preferred name) [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: 539.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 175.2±23.6 °C
Index of Refraction: 1.515
Molar Refractivity: 109.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4886.97
ACD/KOC (pH 5.5): 15208.69
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4552.29
ACD/KOC (pH 7.4): 14167.11
Polar Surface Area: 113 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 363.4±5.0 cm3

Click to predict properties on the Chemicalize site


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