ChemSpider 2D Image | (2R,3R,4S)-6,6-Dimethoxy-2,3,4-hexanetriol (non-preferred name) | C8H18O5

(2R,3R,4S)-6,6-Dimethoxy-2,3,4-hexanetriol (non-preferred name)

  • Molecular FormulaC8H18O5
  • Average mass194.225 Da
  • Monoisotopic mass194.115417 Da
  • ChemSpider ID110589180

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4S)-6,6-Dimethoxy-2,3,4-hexanetriol (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S)-6,6-Diméthoxy-2,3,4-hexanetriol (non-preferred name) [French] [ACD/IUPAC Name]
(2R,3R,4S)-6,6-Dimethoxy-2,3,4-hexantriol (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 343.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.1±6.0 kJ/mol
Flash Point: 161.6±27.9 °C
Index of Refraction: 1.474
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.33
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.33
Polar Surface Area: 79 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 167.3±3.0 cm3

Click to predict properties on the Chemicalize site


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