ChemSpider 2D Image | 3-[(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)oxy]-1,2-propanediyl diacetate | C21H30O14

3-[(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)oxy]-1,2-propanediyl diacetate

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID9050109

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-[(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)oxy]-1,2-propandiyl-diacetat [German] [ACD/IUPAC Name]
3-[(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)oxy]-1,2-propanediyl diacetate [ACD/IUPAC Name]
Diacétate de 3-[(2,3,4,6-tétra-O-acétyl-β-D-galactopyranosyl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, 2,3-bis(acetyloxy)propyl, tetraacetate [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: 544.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 231.5±30.2 °C
Index of Refraction: 1.488
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.34
ACD/KOC (pH 5.5): 99.45
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 99.45
Polar Surface Area: 176 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 388.0±5.0 cm3

Click to predict properties on the Chemicalize site


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