ChemSpider 2D Image | (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[3-(4-ethoxybenzyl)phenyl]-D-glucitol | C29H34O10

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[3-(4-ethoxybenzyl)phenyl]-D-glucitol

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID58791603

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[3-(4-ethoxybenzyl)phenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[3-(4-ethoxybenzyl)phenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-[3-(4-éthoxybenzyl)phényl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[3-[(4-ethoxyphenyl)methyl]phenyl]-, tetraacetate, (1S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 255.8±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5575.99
ACD/KOC (pH 5.5): 16718.96
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5575.99
ACD/KOC (pH 7.4): 16718.96
Polar Surface Area: 124 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 433.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement