ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-4,6-O-(4-methoxybenzylidene)-alpha-D-galactopyranoside | C26H27NO9

4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-4,6-O-(4-methoxybenzylidene)-α-D-galactopyranoside

  • Molecular FormulaC26H27NO9
  • Average mass497.494 Da
  • Monoisotopic mass497.168579 Da
  • ChemSpider ID57530446

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-Acétamido-2-désoxy-4,6-O-(4-méthoxybenzylidène)-α-D-galactopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-4,6-O-[(4-methoxyphenyl)methylene]-α-D-galactopyranosyl]oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-4,6-O-(4-methoxybenzylidene)-α-D-galactopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-2-acetamido-2-desoxy-4,6-O-(4-methoxybenzyliden)-α-D-galactopyranosid [German] [ACD/IUPAC Name]
1042999-77-8 [RN]
4-Methyl-2-oxo-2H-1-benzopyran-7-yl 2-acetamido-2-deoxy-4,6-O-[(4-methoxyphenyl)methylidene]-α-D-galactopyranoside
4-Methylumbelliferyl 2-Acetamido-2-deoxy-4,6-O-(p-methoxyphenylmethylene)-|A-D-galactopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 791.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.4±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 70.80
ACD/KOC (pH 5.5): 734.32
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.80
ACD/KOC (pH 7.4): 734.32
Polar Surface Area: 122 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 351.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement