ChemSpider 2D Image | 2-Chloro-4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside | C20H19ClN2O8

2-Chloro-4-(5-nitro-1H-indol-1-yl)phenyl α-D-mannopyranoside

  • Molecular FormulaC20H19ClN2O8
  • Average mass450.827 Da
  • Monoisotopic mass450.083008 Da
  • ChemSpider ID28506006

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Chlor-4-(5-nitro-1H-indol-1-yl)phenyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
2-Chloro-4-(5-nitro-1H-indol-1-yl)phenyl α-D-mannopyranoside [ACD/IUPAC Name]
α-D-Mannopyranoside de 2-chloro-4-(5-nitro-1H-indol-1-yl)phényle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, 2-chloro-4-(5-nitro-1H-indol-1-yl)phenyl [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 653.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.9±31.5 °C
Index of Refraction: 1.712
Molar Refractivity: 104.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.21
ACD/KOC (pH 5.5): 143.16
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.21
ACD/KOC (pH 7.4): 143.16
Polar Surface Area: 150 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 267.8±7.0 cm3

Click to predict properties on the Chemicalize site


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