ChemSpider 2D Image | (3R,5S,6S)-3-[(1R)-1-Hydroxy-2,2-dimethylpropyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one (non-preferred name) | C13H24O6

(3R,5S,6S)-3-[(1R)-1-Hydroxy-2,2-dimethylpropyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one (non-preferred name)

  • Molecular FormulaC13H24O6
  • Average mass276.326 Da
  • Monoisotopic mass276.157288 Da
  • ChemSpider ID74044697
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3R,5S,6S)-3-[(1R)-1-Hydroxy-2,2-dimethylpropyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3R,5S,6S)-3-[(1R)-1-Hydroxy-2,2-dimethylpropyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-one (non-preferred name) [ACD/IUPAC Name]
(3R,5S,6S)-3-[(1R)-1-Hydroxy-2,2-diméthylpropyl]-5,6-diméthoxy-5,6-diméthyl-1,4-dioxan-2-one (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 372.0±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: 130.7±21.4 °C
Index of Refraction: 1.470
Molar Refractivity: 68.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.76
ACD/KOC (pH 5.5): 106.25
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.76
ACD/KOC (pH 7.4): 106.25
Polar Surface Area: 74 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 246.3±5.0 cm3

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