ChemSpider 2D Image | (2R,3S,4R,5R)-1,2,3,4,5,6-Hexahydroxyhexyl octanoate (non-preferred name) | C14H28O8

(2R,3S,4R,5R)-1,2,3,4,5,6-Hexahydroxyhexyl octanoate (non-preferred name)

  • Molecular FormulaC14H28O8
  • Average mass324.367 Da
  • Monoisotopic mass324.178406 Da
  • ChemSpider ID57487178

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R,3S,4R,5R)-1,2,3,4,5,6-Hexahydroxyhexyl octanoate (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,5R)-1,2,3,4,5,6-Hexahydroxyhexyl-octanoat (non-preferred name) [German] [ACD/IUPAC Name]
Octanoate de (2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyle (non-preferred name) [French] [ACD/IUPAC Name]
SORBITOL OCTANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 210.7±23.6 °C
Index of Refraction: 1.534
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: -0.09
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.66
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.66
Polar Surface Area: 148 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 250.0±3.0 cm3

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