ChemSpider 2D Image | Dimethyl 3-O-acetyl-4-O-(3,4,6-tri-O-acetyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranosiduronate | C22H32O16

Dimethyl 3-O-acetyl-4-O-(3,4,6-tri-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranosiduronate

  • Molecular FormulaC22H32O16
  • Average mass552.480 Da
  • Monoisotopic mass552.169006 Da
  • ChemSpider ID8545810

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Dimethyl 3-O-acetyl-4-O-(3,4,6-tri-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranosiduronate [ACD/IUPAC Name]
Dimethyl-3-O-acetyl-4-O-(3,4,6-tri-O-acetyl-α-D-glucopyranosyl)-α-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
α-D-Glucopyranosiduronic acid, methyl 4-O-(3,4,6-tri-O-acetyl-α-D-glucopyranosyl)-, methyl ester, 3-acetate [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: 633.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.4±6.0 kJ/mol
Flash Point: 206.3±25.0 °C
Index of Refraction: 1.520
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.74
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.74
Polar Surface Area: 209 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 391.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement