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

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

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID23339947

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(2,3,4,6-Tetra-O-acetyl-α-D-galactopyranosyl)oxy]-1,3-propandiyl-diacetat [German] [ACD/IUPAC Name]
2-[(2,3,4,6-Tetra-O-acetyl-α-D-galactopyranosyl)oxy]-1,3-propanediyl diacetate [ACD/IUPAC Name]
Diacétate de 2-[(2,3,4,6-tétra-O-acétyl-α-D-galactopyranosyl)oxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
α-D-Galactopyranoside, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl, tetraacetate [ACD/Index Name]
2-[(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)oxy]propane-1,3-diyl diacetate
2-O-α-D-galactopyranosyl glycerol hexaacetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517035/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 544.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±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: 1.56
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 102.23
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.51
ACD/KOC (pH 7.4): 102.23
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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