ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2S)-3-fluoro-1,2-dihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid | C11H18FNO8

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2S)-3-fluoro-1,2-dihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid

  • Molecular FormulaC11H18FNO8
  • Average mass311.261 Da
  • Monoisotopic mass311.101654 Da
  • ChemSpider ID44750811

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2S)-3-fluoro-1,2-dihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2S)-3-fluor-1,2-dihydroxypropyl]-L-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-3,5-didésoxy-6-[(1R,2S)-3-fluoro-1,2-dihydroxypropyl]-L-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5,9-trideoxy-9-fluoro- [ACD/Index Name]
[85819-28-9] [RN]
5-Acetamido-3,5,9-trideoxy-9-fluoro-D-glycero-D-galacto-nonulopyranosonic acid
85819-28-9 [RN]
MFCD27976803

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

Density: 1.6±0.1 g/cm3
Boiling Point: 754.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 409.8±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.22
ACD/LogD (pH 5.5): -5.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 195.7±5.0 cm3

Click to predict properties on the Chemicalize site


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