ChemSpider 2D Image | (4xi)-1,4-Anhydro-2,3,5,6-tetra-O-stearoyl-D-xylo-hexitol | C78H148O9

(4ξ)-1,4-Anhydro-2,3,5,6-tetra-O-stearoyl-D-xylo-hexitol

  • Molecular FormulaC78H148O9
  • Average mass1230.004 Da
  • Monoisotopic mass1229.112305 Da
  • ChemSpider ID4956600

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4ξ)-1,4-Anhydro-2,3,5,6-tetra-O-stearoyl-D-xylo-hexitol [ACD/IUPAC Name]
(4ξ)-1,4-Anhydro-2,3,5,6-tetra-O-stearoyl-D-xylo-hexitol [German] [ACD/IUPAC Name]
(4ξ)-1,4-Anhydro-2,3,5,6-tétra-O-stearoyl-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Heξtol, 1,4-anhydro-2,3,5,6-tetrakis-O-(1-oxooctadecyl)-, (4ξ)- [ACD/Index Name]
(1R)-1-[(3R,4S)-3,4-BIS(OCTADECANOYLOXY)OXOLAN-2-YL]-2-(OCTADECANOYLOXY)ETHYL OCTADECANOATE
262-958-8 [EINECS]
61752-68-9 [RN]
Sorbitan, tetraoctadecanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1014.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.4±3.0 kJ/mol
Flash Point: 347.5±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 370.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 74
#Rule of 5 Violations: 2
ACD/LogP: 34.40
ACD/LogD (pH 5.5): 32.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 32.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 114 Å2
Polarizability: 146.8±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 1286.3±5.0 cm3

Click to predict properties on the Chemicalize site


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