ChemSpider 2D Image | (3S,6R,3'S,6'R)-6,6'-[1,12-Dodecanediylbis(oxy)]bis(3,6-dihydro-2H-pyran-3-ol) | C22H38O6

(3S,6R,3'S,6'R)-6,6'-[1,12-Dodecanediylbis(oxy)]bis(3,6-dihydro-2H-pyran-3-ol)

  • Molecular FormulaC22H38O6
  • Average mass398.534 Da
  • Monoisotopic mass398.266846 Da
  • ChemSpider ID30658792

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,6R,3'S,6'R)-6,6'-[1,12-Dodecandiylbis(oxy)]bis(3,6-dihydro-2H-pyran-3-ol) [German] [ACD/IUPAC Name]
(3S,6R,3'S,6'R)-6,6'-[1,12-Dodecanediylbis(oxy)]bis(3,6-dihydro-2H-pyran-3-ol) [ACD/IUPAC Name]
(3S,6R,3'S,6'R)-6,6'-[1,12-Dodécanediylbis(oxy)]bis(3,6-dihydro-2H-pyran-3-ol) [French] [ACD/IUPAC Name]
2H-Pyran-3-ol, 6,6'-[1,12-dodecanediylbis(oxy)]bis[3,6-dihydro-, (3S,6R,3'S,6'R)- [ACD/Index 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: 553.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 109.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.72
ACD/KOC (pH 5.5): 863.00
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.72
ACD/KOC (pH 7.4): 863.00
Polar Surface Area: 77 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 360.5±5.0 cm3

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