ChemSpider 2D Image | 3-(Acetoxymethyl)-4-[(2,3,4-tri-O-acetyl-6-O-benzoyl-beta-D-glucopyranosyl)oxy]phenyl acetate | C30H32O14

3-(Acetoxymethyl)-4-[(2,3,4-tri-O-acetyl-6-O-benzoyl-β-D-glucopyranosyl)oxy]phenyl acetate

  • Molecular FormulaC30H32O14
  • Average mass616.567 Da
  • Monoisotopic mass616.179199 Da
  • ChemSpider ID58115056

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(Acetoxymethyl)-4-[(2,3,4-tri-O-acetyl-6-O-benzoyl-β-D-glucopyranosyl)oxy]phenyl acetate [ACD/IUPAC Name]
3-(Acetoxymethyl)-4-[(2,3,4-tri-O-acetyl-6-O-benzoyl-β-D-glucopyranosyl)oxy]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-(acétoxyméthyl)-4-[(2,3,4-tri-O-acétyl-6-O-benzoyl-β-D-glucopyranosyl)oxy]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-(acetyloxy)-2-[(acetyloxy)methyl]phenyl, 2,3,4-triacetate 6-benzoate [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 270.1±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: 4.03
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 359.88
ACD/KOC (pH 5.5): 2351.25
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 359.88
ACD/KOC (pH 7.4): 2351.25
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

Click to predict properties on the Chemicalize site


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