ChemSpider 2D Image | Methyl 2-[hydroxy(5-{[(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)oxy]methyl}-2-furyl)methyl]acrylate | C24H30O14

Methyl 2-[hydroxy(5-{[(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)oxy]methyl}-2-furyl)methyl]acrylate

  • Molecular FormulaC24H30O14
  • Average mass542.487 Da
  • Monoisotopic mass542.163574 Da
  • ChemSpider ID29371850

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-[Hydroxy(5-{[(2,3,4,6-tétra-O-acétyl-α-D-glucopyranosyl)oxy]méthyl}-2-furyl)méthyl]acrylate de méthyle [French] [ACD/IUPAC Name]
2-Furanpropanoic acid, β-hydroxy-α-methylene-5-[[(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)oxy]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-[hydroxy(5-{[(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)oxy]methyl}-2-furyl)methyl]acrylate [ACD/IUPAC Name]
Methyl-2-[hydroxy(5-{[(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)oxy]methyl}-2-furyl)methyl]acrylat [German] [ACD/IUPAC Name]
Methyl 2-[hydroxy-(5-(2,3,4,6-tetra-O-acetyl-α-d-glucopyranosyloxymethyl)-furan-2-yl)-methyl]-acrylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.10
ACD/KOC (pH 5.5): 219.46
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.10
ACD/KOC (pH 7.4): 219.45
Polar Surface Area: 183 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 402.0±5.0 cm3

Click to predict properties on the Chemicalize site


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