ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl 3,4,6-tri-O-acetyl-2-deoxy-2-[(propylcarbamoyl)amino]-beta-D-glucopyranoside | C26H32N2O11

4-Methyl-2-oxo-2H-chromen-7-yl 3,4,6-tri-O-acetyl-2-deoxy-2-[(propylcarbamoyl)amino]-β-D-glucopyranoside

  • Molecular FormulaC26H32N2O11
  • Average mass548.539 Da
  • Monoisotopic mass548.200623 Da
  • ChemSpider ID57427267

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 4-methyl-7-[[3,4,6-tri-O-acetyl-2-deoxy-2-[[(propylamino)carbonyl]amino]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
3,4,6-Tri-O-acétyl-2-désoxy-2-[(propylcarbamoyl)amino]-β-D-glucopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl 3,4,6-tri-O-acetyl-2-deoxy-2-[(propylcarbamoyl)amino]-β-D-glucopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-3,4,6-tri-O-acetyl-2-desoxy-2-[(propylcarbamoyl)amino]-β-D-glucopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.7±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.79
ACD/KOC (pH 5.5): 503.49
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.77
ACD/KOC (pH 7.4): 503.23
Polar Surface Area: 165 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 409.3±5.0 cm3

Click to predict properties on the Chemicalize site


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