ChemSpider 2D Image | 5-Acetoxy-2-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]benzyl benzoate | C30H32O14

5-Acetoxy-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]benzyl benzoate

  • Molecular FormulaC30H32O14
  • Average mass616.567 Da
  • Monoisotopic mass616.179199 Da
  • ChemSpider ID68027663

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Acetoxy-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]benzyl benzoate [ACD/IUPAC Name]
5-Acetoxy-2-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]benzyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 5-acétoxy-2-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]benzyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-(acetyloxy)-2-[(benzoyloxy)methyl]phenyl, tetraacetate [ACD/Index Name]
18265-35-5 [RN]
2-[(Benzoyloxy)methyl]-4-acetyloxyphenyl 2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 273.1±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 358.23
ACD/KOC (pH 5.5): 2343.57
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 358.23
ACD/KOC (pH 7.4): 2343.57
Polar Surface Area: 176 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 454.7±5.0 cm3

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