ChemSpider 2D Image | (1S,6R)-1,2:5,6-Dianhydro-3,4-dideoxy-6-dodecyl-1-[12-(5-methyl-2-oxo-2,5-dihydro-3-furanyl)-5-oxododecyl]-D-erythro-hexitol | C35H60O5

(1S,6R)-1,2:5,6-Dianhydro-3,4-dideoxy-6-dodecyl-1-[12-(5-methyl-2-oxo-2,5-dihydro-3-furanyl)-5-oxododecyl]-D-erythro-hexitol

  • Molecular FormulaC35H60O5
  • Average mass560.848 Da
  • Monoisotopic mass560.444092 Da
  • ChemSpider ID9137970

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,6R)-1,2:5,6-Dianhydro-3,4-dideoxy-6-dodecyl-1-[12-(5-methyl-2-oxo-2,5-dihydro-3-furanyl)-5-oxododecyl]-D-erythro-hexitol [ACD/IUPAC Name]
(1S,6R)-1,2:5,6-Dianhydro-3,4-didesoxy-6-dodecyl-1-[12-(5-methyl-2-oxo-2,5-dihydro-3-furanyl)-5-oxododecyl]-D-erythro-hexitol [German] [ACD/IUPAC Name]
(1S,6R)-1,2:5,6-Dianhydro-3,4-didésoxy-6-dodécyl-1-[12-(5-méthyl-2-oxo-2,5-dihydro-3-furanyl)-5-oxododécyl]-D-érythro-hexitol [French] [ACD/IUPAC Name]
D-erythro-Hexitol, 1,2:5,6-dianhydro-3,4-dideoxy-1-C-[12-(2,5-dihydro-5-methyl-2-oxo-3-furanyl)-5-oxododecyl]-6-C-dodecyl-, (1S,6R)- [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: 681.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 316.7±13.9 °C
Index of Refraction: 1.485
Molar Refractivity: 162.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 10.14
ACD/LogD (pH 5.5): 9.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4601874.50
ACD/LogD (pH 7.4): 9.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4601874.50
Polar Surface Area: 68 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 568.1±3.0 cm3

Click to predict properties on the Chemicalize site


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