ChemSpider 2D Image | 4-Formylphenyl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-beta-D-glucopyranoside | C33H40O19

4-Formylphenyl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC33H40O19
  • Average mass740.659 Da
  • Monoisotopic mass740.216370 Da
  • ChemSpider ID23332060

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2,3,6-Tri-O-acétyl-4-O-(2,3,4,6-tétra-O-acétyl-β-D-galactopyranosyl)-β-D-glucopyranoside de 4-formylphényle [French] [ACD/IUPAC Name]
4-Formylphenyl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4-Formylphenyl-2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Benzaldehyde, 4-[[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
4-Formylphenyl (2',3',4',6',2,3,6-hepta-O-acetyl)-β-Dlactoside
Acetic acid (2S,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[(2R,3R,4S,5R,6S)-4,5-diacetoxy-2-acetoxymethyl-6-(4-formyl-phenoxy)-tetrahydro-pyran-3-yloxy]-tetrahydro-pyran-3-yl ester
CHEMBL504844

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

Density: 1.4±0.1 g/cm3
Boiling Point: 752.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 305.1±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 167.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.68
ACD/KOC (pH 5.5): 449.65
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.68
ACD/KOC (pH 7.4): 449.65
Polar Surface Area: 238 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 536.8±5.0 cm3

Click to predict properties on the Chemicalize site


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