ChemSpider 2D Image | 2,4-Dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside | C12H13FN2O9

2,4-Dinitrophenyl 2-deoxy-2-fluoro-β-D-mannopyranoside

  • Molecular FormulaC12H13FN2O9
  • Average mass348.238 Da
  • Monoisotopic mass348.060516 Da
  • ChemSpider ID25058312
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2,4-Dinitrophenyl 2-deoxy-2-fluoro-β-D-mannopyranoside [ACD/IUPAC Name]
2,4-Dinitrophenyl-2-desoxy-2-fluor-β-D-mannopyranosid [German] [ACD/IUPAC Name]
2-Désoxy-2-fluoro-β-D-mannopyranoside de 2,4-dinitrophényle [French] [ACD/IUPAC Name]
β-D-Mannopyranoside, 2,4-dinitrophenyl 2-deoxy-2-fluoro- [ACD/Index Name]
(2R,3S,4S,5S,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol

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

Density: 1.7±0.1 g/cm3
Boiling Point: 615.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.2±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 72.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.09
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.09
Polar Surface Area: 171 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 205.8±5.0 cm3

Click to predict properties on the Chemicalize site






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