ChemSpider 2D Image | 3,6-Anhydro-6-[bis(3,4,5-trimethoxyphenyl)methylene]-4,5-O-isopropylidene-L-glucitol | C28H36O11

3,6-Anhydro-6-[bis(3,4,5-trimethoxyphenyl)methylene]-4,5-O-isopropylidene-L-glucitol

  • Molecular FormulaC28H36O11
  • Average mass548.579 Da
  • Monoisotopic mass548.225769 Da
  • ChemSpider ID26613250

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3,6-Anhydro-6-[bis(3,4,5-trimethoxyphenyl)methylen]-4,5-O-isopropyliden-L-glucitol [German] [ACD/IUPAC Name]
3,6-Anhydro-6-[bis(3,4,5-trimethoxyphenyl)methylene]-4,5-O-isopropylidene-L-glucitol [ACD/IUPAC Name]
3,6-Anhydro-6-[bis(3,4,5-triméthoxyphényl)méthylène]-4,5-O-isopropylidène-L-glucitol [French] [ACD/IUPAC Name]
L-gluco-Hept-6-enitol, 3,6-anhydro-7-deoxy-4,5-O-(1-methylethylidene)-7,7-bis(3,4,5-trimethoxyphenyl)- [ACD/Index 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: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 70.79
ACD/KOC (pH 5.5): 734.18
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.79
ACD/KOC (pH 7.4): 734.18
Polar Surface Area: 124 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 443.4±3.0 cm3

Click to predict properties on the Chemicalize site


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