ChemSpider 2D Image | 1,2,3,4-Tetra-O-acetyl-1-C-2-propyn-1-yl-beta-D-glucopyranose | C17H22O10

1,2,3,4-Tetra-O-acetyl-1-C-2-propyn-1-yl-β-D-glucopyranose

  • Molecular FormulaC17H22O10
  • Average mass386.351 Da
  • Monoisotopic mass386.121307 Da
  • ChemSpider ID20193284
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1,2,3,4-Tetra-O-acetyl-1-C-2-propin-1-yl-β-D-glucopyranose [German] [ACD/IUPAC Name]
1,2,3,4-Tetra-O-acetyl-1-C-2-propyn-1-yl-β-D-glucopyranose [ACD/IUPAC Name]
1,2,3,4-Tétra-O-acétyl-1-C-2-propyn-1-yl-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-gluco-Non-1-yn-4-ulopyranose, 1,2,3-trideoxy-, 4,5,6,7-tetraacetate [ACD/Index Name]
2-Propynyl-tetra-O-acetyl-β-D-glucopyranoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 450.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 151.8±22.2 °C
Index of Refraction: 1.506
Molar Refractivity: 87.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.76
ACD/KOC (pH 5.5): 136.74
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.76
ACD/KOC (pH 7.4): 136.74
Polar Surface Area: 135 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 293.3±5.0 cm3

Click to predict properties on the Chemicalize site






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