ChemSpider 2D Image | (2S,3R,5R)-2-[(1S)-1,2-Dihydroxyethyl]-5-hydroperoxytetrahydro-3-furanyl stearate (non-preferred name) | C24H46O7

(2S,3R,5R)-2-[(1S)-1,2-Dihydroxyethyl]-5-hydroperoxytetrahydro-3-furanyl stearate (non-preferred name)

  • Molecular FormulaC24H46O7
  • Average mass446.618 Da
  • Monoisotopic mass446.324341 Da
  • ChemSpider ID59006377

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,5R)-2-[(1S)-1,2-Dihydroxyethyl]-5-hydroperoxytetrahydro-3-furanyl stearate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,5R)-2-[(1S)-1,2-Dihydroxyethyl]-5-hydroperoxytetrahydro-3-furanylstearat (non-preferred name) [German] [ACD/IUPAC Name]
Stéarate de (2S,3R,5R)-2-[(1S)-1,2-dihydroxyéthyl]-5-hydroperoxytétrahydro-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: 588.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 188.0±23.6 °C
Index of Refraction: 1.498
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 86391.30
ACD/KOC (pH 5.5): 118878.88
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 86376.98
ACD/KOC (pH 7.4): 118859.17
Polar Surface Area: 105 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 413.0±5.0 cm3

Click to predict properties on the Chemicalize site


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