ChemSpider 2D Image | 4-(5-Nitro-2,3-dihydro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside | C20H22N2O8

4-(5-Nitro-2,3-dihydro-1H-indol-1-yl)phenyl α-D-mannopyranoside

  • Molecular FormulaC20H22N2O8
  • Average mass418.397 Da
  • Monoisotopic mass418.137604 Da
  • ChemSpider ID28509147
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

4-(5-Nitro-2,3-dihydro-1H-indol-1-yl)phenyl α-D-mannopyranoside [ACD/IUPAC Name]
4-(5-Nitro-2,3-dihydro-1H-indol-1-yl)phenyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside de 4-(5-nitro-2,3-dihydro-1H-indol-1-yl)phényle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, 4-(2,3-dihydro-5-nitro-1H-indol-1-yl)phenyl [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 717.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 388.0±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 56.31
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 56.31
Polar Surface Area: 148 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 80.7±3.0 dyne/cm
Molar Volume: 272.7±3.0 cm3

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