ChemSpider 2D Image | (1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-ethoxy-1,1-difluoro-2-oxoethyl)-D-glucitol | C31H34F2O7

(1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-ethoxy-1,1-difluoro-2-oxoethyl)-D-glucitol

  • Molecular FormulaC31H34F2O7
  • Average mass556.594 Da
  • Monoisotopic mass556.227234 Da
  • ChemSpider ID30651605

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-ethoxy-1,1-difluor-2-oxoethyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-ethoxy-1,1-difluoro-2-oxoethyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-3,4,6-tri-O-benzyl-1-(2-éthoxy-1,1-difluoro-2-oxoéthyl)-D-glucitol [French] [ACD/IUPAC Name]
D-glycero-D-ido-Octonic acid, 3,7-anhydro-2-deoxy-2,2-difluoro-5,6,8-tris-O-(phenylmethyl)-, ethyl ester [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: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 345.0±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58446.36
ACD/KOC (pH 5.5): 89872.36
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 58446.04
ACD/KOC (pH 7.4): 89871.87
Polar Surface Area: 83 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 439.3±5.0 cm3

Click to predict properties on the Chemicalize site


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