ChemSpider 2D Image | (4xi)-5-Acetamido-3,5-dideoxy-3-fluoro-6-[(1S,2S)-1,2,3-trihydroxypropyl]-beta-D-threo-hex-2-ulopyranosonic acid | C11H18FNO9

(4ξ)-5-Acetamido-3,5-dideoxy-3-fluoro-6-[(1S,2S)-1,2,3-trihydroxypropyl]-β-D-threo-hex-2-ulopyranosonic acid

  • Molecular FormulaC11H18FNO9
  • Average mass327.260 Da
  • Monoisotopic mass327.096558 Da
  • ChemSpider ID111308977

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(4ξ)-5-Acetamido-3,5-dideoxy-3-fluoro-6-[(1S,2S)-1,2,3-trihydroxypropyl]-β-D-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(4ξ)-5-Acetamido-3,5-didesoxy-3-fluor-6-[(1S,2S)-1,2,3-trihydroxypropyl]-β-D-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (4ξ)-5-acétamido-3,5-didésoxy-3-fluoro-6-[(1S,2S)-1,2,3-trihydroxypropyl]-β-D-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
α-L-gluco-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-3-fluoro- [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: 813.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.7±6.0 kJ/mol
Flash Point: 446.0±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 65.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.29
ACD/LogD (pH 5.5): -6.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 193.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement