ChemSpider 2D Image | (1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-D-glucitol | C42H40N2O6

(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-D-glucitol

  • Molecular FormulaC42H40N2O6
  • Average mass668.777 Da
  • Monoisotopic mass668.288635 Da
  • ChemSpider ID17248793

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,4,6-tetra-O-benzyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,4,6-tétra-O-benzyl-1-(5-phényl-1,2,4-oxadiazol-3-yl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-2,3,4,6-tetrakis-O-(phenylmethyl)-1-C-(5-phenyl-1,2,4-oxadiazol-3-yl)-, (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: 783.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 427.7±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 191.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.27
ACD/LogD (pH 5.5): 9.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2150462.75
ACD/LogD (pH 7.4): 9.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2150462.75
Polar Surface Area: 85 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 529.1±5.0 cm3

Click to predict properties on the Chemicalize site


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