ChemSpider 2D Image | 3-FLUOROSIALIC ACID | C11H18FNO8

3-FLUOROSIALIC ACID

  • Molecular FormulaC11H18FNO8
  • Average mass311.261 Da
  • Monoisotopic mass311.101654 Da
  • ChemSpider ID26330235

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(6R)-5-Acetamido-2,6-anhydro-3,5-dideoxy-3-fluoro-6-[(2S)-1,2,3-trihydroxypropyl]-D-gulonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-3,5-didesoxy-3-fluor-6-[(2S)-1,2,3-trihydroxypropyl]-D-gulonsäure [German] [ACD/IUPAC Name]
3-FLUOROSIALIC ACID
Acide (6R)-5-acétamido-2,6-anhydro-3,5-didésoxy-3-fluoro-6-[(2S)-1,2,3-trihydroxypropyl]-D-gulonique [French] [ACD/IUPAC Name]
L-erythro-D-gulo-Nononic acid, 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-fluoro- [ACD/Index Name]
(2S,3R,4S,5S,6R)-5-acetamido-3-fluoro-4-hydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 411.7±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 64.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -5.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 196.5±5.0 cm3

Click to predict properties on the Chemicalize site


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