ChemSpider 2D Image | 3-{2-[2-(2-{[4-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranosyl]oxy}ethoxy)ethoxy]ethoxy}propanoic acid | C21H38O16

3-{2-[2-(2-{[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}ethoxy)ethoxy]ethoxy}propanoic acid

  • Molecular FormulaC21H38O16
  • Average mass546.517 Da
  • Monoisotopic mass546.216003 Da
  • ChemSpider ID59758208

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-{2-[2-(2-{[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}ethoxy)ethoxy]ethoxy}propanoic acid [ACD/IUPAC Name]
3-{2-[2-(2-{[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyl]oxy}ethoxy)ethoxy]ethoxy}propansäure [German] [ACD/IUPAC Name]
Acide 3-{2-[2-(2-{[4-O-(β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy}éthoxy)éthoxy]éthoxy}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[2-[2-[2-[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]ethoxy]ethoxy]ethoxy]- [ACD/Index Name]
1858223-96-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 818.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.4±6.0 kJ/mol
Flash Point: 273.6±27.8 °C
Index of Refraction: 1.579
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -4.26
ACD/LogD (pH 5.5): -5.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 359.7±5.0 cm3

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