ChemSpider 2D Image | 1,4:3,6-Dianhydro-D-(C~2~,C~5~,1,1,3,4,6,6-~2~H_8_)glucitol | C6H2D8O4

1,4:3,6-Dianhydro-D-(C2,C5,1,1,3,4,6,6-2H8)glucitol

  • Molecular FormulaC6H2D8O4
  • Average mass154.191 Da
  • Monoisotopic mass154.108124 Da
  • ChemSpider ID107446565
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

1,4:3,6-Dianhydro-D-(C2,C5,1,1,3,4,6,6-2H8)glucitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-D-(C2,C5,1,1,3,4,6,6-2H8)glucitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-D-(C2,C5,1,1,3,4,6,6-2H8)glucitol [French] [ACD/IUPAC Name]
D-Glucitol-C1,C1,C2,C3,C4,C5,C6,C6-d8, 1,4:3,6-dianhydro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 372.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.6±6.0 kJ/mol
Flash Point: 178.8±27.9 °C
Index of Refraction: 1.562
Molar Refractivity: 32.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.22
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.22
Polar Surface Area: 59 Å2
Polarizability: 12.7±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 99.0±3.0 cm3

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