ChemSpider 2D Image | 3-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-2-hydroxypropyl pentadecanoate | C30H56O14

3-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-2-hydroxypropyl pentadecanoate

  • Molecular FormulaC30H56O14
  • Average mass640.757 Da
  • Monoisotopic mass640.367004 Da
  • ChemSpider ID44210728

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

3-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-2-hydroxypropyl pentadecanoate [ACD/IUPAC Name]
3-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-2-hydroxypropyl-pentadecanoat [German] [ACD/IUPAC Name]
Pentadécanoate de 3-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-2-hydroxypropyle [French] [ACD/IUPAC Name]
Pentadecanoic acid, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-hydroxypropyl ester [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: 843.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.4±6.0 kJ/mol
Flash Point: 262.1±27.8 °C
Index of Refraction: 1.553
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.68
ACD/KOC (pH 5.5): 740.84
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.68
ACD/KOC (pH 7.4): 740.82
Polar Surface Area: 225 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 492.9±5.0 cm3

Click to predict properties on the Chemicalize site


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