ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-3-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)-D-threo-pentitol | C12H14F3NO4S

1,5-Anhydro-2,3-dideoxy-3-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)-D-threo-pentitol

  • Molecular FormulaC12H14F3NO4S
  • Average mass325.304 Da
  • Monoisotopic mass325.059570 Da
  • ChemSpider ID35087230

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2,3-dideoxy-3-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-3-({[3-(trifluormethyl)phenyl]sulfonyl}amino)-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-3-({[3-(trifluorométhyl)phényl]sulfonyl}amino)-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-2,3-dideoxy-3-[[[3-(trifluoromethyl)phenyl]sulfonyl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 453.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 228.1±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 68.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.57
ACD/KOC (pH 5.5): 148.20
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.54
ACD/KOC (pH 7.4): 147.62
Polar Surface Area: 84 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 217.4±5.0 cm3

Click to predict properties on the Chemicalize site


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