ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-galactopyranoside | C24H31NO13

4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC24H31NO13
  • Average mass541.502 Da
  • Monoisotopic mass541.179565 Da
  • ChemSpider ID170033

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acétamido-2-désoxy-3-O-β-D-galactopyranosyl-β-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-3-O-β-D-galactopyranosyl-β-D-galactopyranosyl]oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-2-acetamido-2-desoxy-3-O-β-D-galactopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-((2-(acetylamino)-2-deoxy-3-O-β-D-galactopyranosyl-β-D-galactopyranosyl)oxy)-4-methyl-
4-Methylumbelliferyl-2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)β-D-galactopyranoside
4-Methylumbelliferyl-galactosyl(1-3)-N-acetylgalactosaminide
4-Mugaga
82358-93-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 910.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.6±3.0 kJ/mol
Flash Point: 504.2±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.25
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.57
Polar Surface Area: 214 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 86.0±5.0 dyne/cm
Molar Volume: 341.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement