ChemSpider 2D Image | 4-Nitrophenyl 2-(acetylamino)-2-deoxy-6-O-β-D-galactopyranosyl-β-D-glucopyranoside | C20H28N2O13

4-Nitrophenyl 2-(acetylamino)-2-deoxy-6-O-β-D-galactopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC20H28N2O13
  • Average mass504.442 Da
  • Monoisotopic mass504.159149 Da
  • ChemSpider ID166256

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acétamido-2-désoxy-6-O-β-D-galactopyranosyl-β-D-glucopyranoside de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl 2-(acetylamino)-2-deoxy-6-O-β-D-galactopyranosyl-β-D-glucopyranoside
4-Nitrophenyl 2-acetamido-2-deoxy-6-O-β-D-galactopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-Nitrophenyl-2-acetamido-2-desoxy-6-O-β-D-galactopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
57467-16-0 [RN]
β-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-6-O-β-D-galactopyranosyl- [ACD/Index Name]
2,4,6-trinitrophenol- 2-(4-methoxyphenyl)pyridine(1:1)
para-Nitrophenyl-2-acetamido-2-deoxy-6-O-β-D-galactopyranosyl-β-D-glucopyranoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 882.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.4±3.0 kJ/mol
Flash Point: 487.8±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.47
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 233 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 311.4±5.0 cm3

Click to predict properties on the Chemicalize site


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