ChemSpider 2D Image | (2S,3R,4S,5R)-2-[(2R,3R,4R,5R)-2,5-bis(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-5-chloro-6-(hydroxymethyl)tetrahydropyran-3,4-diol | C12H19Cl3O8

(2S,3R,4S,5R)-2-[(2R,3R,4R,5R)-2,5-bis(chloromethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-5-chloro-6-(hydroxymethyl)tetrahydropyran-3,4-diol

  • Molecular FormulaC12H19Cl3O8
  • Average mass397.634 Da
  • Monoisotopic mass396.014557 Da
  • ChemSpider ID24539846
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

56038-13-2 [RN]
Sucralose [Wiki]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 358.7±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.29
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.29
Polar Surface Area: 129 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 234.8±5.0 cm3

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