ChemSpider 2D Image | 1,4:3,6-Dianhydro-D-threo-hexitol | C6H10O4

1,4:3,6-Dianhydro-D-threo-hexitol

  • Molecular FormulaC6H10O4
  • Average mass146.141 Da
  • Monoisotopic mass146.057907 Da
  • ChemSpider ID30986878
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

1,4:3,6-Dianhydro-D-threo-hexitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-D-threo-hexitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-threo-Hexitol, 1,4:3,6-dianhydro- [ACD/Index Name]
(3R,6R)-Hexahydrofuro[3,2-b]furan-3,6-diol
1,4:3,6-Dianhydro-D-mannitol [ACD/IUPAC Name]
1822296-85-4 [RN]
641-74-7 [RN]
Isomannide
MFCD00074885

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

Click to predict properties on the Chemicalize site






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