ChemSpider 2D Image | (4xi)-1,4-Anhydro-3,5-di-O-stearoyl-D-xylo-hexitol | C42H80O7

(4ξ)-1,4-Anhydro-3,5-di-O-stearoyl-D-xylo-hexitol

  • Molecular FormulaC42H80O7
  • Average mass697.080 Da
  • Monoisotopic mass696.590393 Da
  • ChemSpider ID148478

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4ξ)-1,4-Anhydro-3,5-di-O-stearoyl-D-xylo-hexitol [ACD/IUPAC Name]
(4ξ)-1,4-Anhydro-3,5-di-O-stearoyl-D-xylo-hexitol [German] [ACD/IUPAC Name]
(4ξ)-1,4-Anhydro-3,5-di-O-stearoyl-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Heξtol, 1,4-anhydro-3,5-bis-O-(1-oxooctadecyl)-, (4ξ)- [ACD/Index Name]
(1R)-2-HYDROXY-1-[(3R,4S)-4-HYDROXY-3-(OCTADECANOYLOXY)OXOLAN-2-YL]ETHYL OCTADECANOATE
37291-76-2 [RN]
Anhydrosorbitol distearate
Sorbitan dioctadecanoate
Sorbitan distearate
Sorbitan, dioctadecanoate

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

AI3-00978 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 743.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 205.7±26.4 °C
Index of Refraction: 1.490
Molar Refractivity: 202.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 15.75
ACD/LogD (pH 5.5): 14.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 102 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 701.6±5.0 cm3

Click to predict properties on the Chemicalize site


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