ChemSpider 2D Image | 1,2:5,6-Dianhydro-3,4-dideoxy-1-dodecyl-6-{12-[(5S)-5-methyl-2-oxo-2,5-dihydro-3-furanyl]dodecyl}hexitol | C35H62O4

1,2:5,6-Dianhydro-3,4-dideoxy-1-dodecyl-6-{12-[(5S)-5-methyl-2-oxo-2,5-dihydro-3-furanyl]dodecyl}hexitol

  • Molecular FormulaC35H62O4
  • Average mass546.864 Da
  • Monoisotopic mass546.464783 Da
  • ChemSpider ID8432384

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

1,2:5,6-Dianhydro-3,4-dideoxy-1-dodecyl-6-{12-[(5S)-5-methyl-2-oxo-2,5-dihydro-3-furanyl]dodecyl}hexitol [ACD/IUPAC Name]
1,2:5,6-Dianhydro-3,4-didesoxy-1-dodecyl-6-{12-[(5S)-5-methyl-2-oxo-2,5-dihydro-3-furanyl]dodecyl}hexitol [German] [ACD/IUPAC Name]
1,2:5,6-Dianhydro-3,4-didésoxy-1-dodécyl-6-{12-[(5S)-5-méthyl-2-oxo-2,5-dihydro-3-furanyl]dodécyl}hexitol [French] [ACD/IUPAC Name]
Hexitol, 1,2:5,6-dianhydro-3,4-dideoxy-1-C-[12-[(5S)-2,5-dihydro-5-methyl-2-oxo-3-furanyl]dodecyl]-6-C-dodecyl- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 643.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 262.3±23.2 °C
Index of Refraction: 1.482
Molar Refractivity: 162.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 12.35
ACD/LogD (pH 5.5): 11.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 51 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 571.0±3.0 cm3

Click to predict properties on the Chemicalize site


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