ChemSpider 2D Image | 1,5:3,6-Dianhydro-1-methyl-4-O-(3-O-methylhexopyranosyl)hexitol | C14H24O9

1,5:3,6-Dianhydro-1-methyl-4-O-(3-O-methylhexopyranosyl)hexitol

  • Molecular FormulaC14H24O9
  • Average mass336.335 Da
  • Monoisotopic mass336.142029 Da
  • ChemSpider ID57462256

More details:

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

1,5:3,6-Dianhydro-1-methyl-4-O-(3-O-methylhexopyranosyl)hexitol [German] [ACD/IUPAC Name]
1,5:3,6-Dianhydro-1-methyl-4-O-(3-O-methylhexopyranosyl)hexitol [ACD/IUPAC Name]
1,5:3,6-Dianhydro-1-méthyl-4-O-(3-O-méthylhexopyranosyl)hexitol [French] [ACD/IUPAC Name]
Heptitol, 1,4:2,6-dianhydro-7-deoxy-3-O-(3-O-methylhexopyranosyl)- [ACD/Index Name]
2-({4-HYDROXY-3-METHYL-2,6-DIOXABICYCLO[3.2.1]OCTAN-8-YL}OXY)-6-(HYDROXYMETHYL)-4-METHOXYOXANE-3,5-DIOL

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 309.6±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.22
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.22
Polar Surface Area: 127 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 230.0±5.0 cm3

Click to predict properties on the Chemicalize site


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