ChemSpider 2D Image | 1,4-Anhydro-2,3,5-tris-O-(2-hydroxyethyl)-6-O-{2-[(9Z)-9-octadecenoyloxy]ethyl}-D-erythro-hexitol | C32H60O10

1,4-Anhydro-2,3,5-tris-O-(2-hydroxyethyl)-6-O-{2-[(9Z)-9-octadecenoyloxy]ethyl}-D-erythro-hexitol

  • Molecular FormulaC32H60O10
  • Average mass604.813 Da
  • Monoisotopic mass604.418640 Da
  • ChemSpider ID78429406
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres


More details:






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

1,4-Anhydro-2,3,5-tris-O-(2-hydroxyethyl)-6-O-{2-[(9Z)-9-octadecenoyloxy]ethyl}-D-erythro-hexitol [German] [ACD/IUPAC Name]
1,4-Anhydro-2,3,5-tris-O-(2-hydroxyethyl)-6-O-{2-[(9Z)-9-octadecenoyloxy]ethyl}-D-erythro-hexitol [ACD/IUPAC Name]
1,4-Anhydro-2,3,5-tris-O-(2-hydroxyéthyl)-6-O-{2-[(9Z)-9-octadecenoyloxy]éthyl}-D-érythro-hexitol [French] [ACD/IUPAC Name]
D-erythro-Hexitol, 1,4-anhydro-2,3,5-tris-O-(2-hydroxyethyl)-6-O-[2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 695.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 207.1±25.0 °C
Index of Refraction: 1.502
Molar Refractivity: 163.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6069.02
ACD/KOC (pH 5.5): 17764.29
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6069.01
ACD/KOC (pH 7.4): 17764.29
Polar Surface Area: 133 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 552.8±5.0 cm3

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