ChemSpider 2D Image | (2R,3S,4R,5S)-N-(4-Fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinecarbothioamide | C13H17FN2O4S

(2R,3S,4R,5S)-N-(4-Fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinecarbothioamide

  • Molecular FormulaC13H17FN2O4S
  • Average mass316.349 Da
  • Monoisotopic mass316.089294 Da
  • ChemSpider ID35034893
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2R,3S,4R,5S)-N-(4-Fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinecarbothioamide [ACD/IUPAC Name]
(2R,3S,4R,5S)-N-(4-Fluorophényl)-3,4,5-trihydroxy-2-(hydroxyméthyl)-1-pipéridinecarbothioamide [French] [ACD/IUPAC Name]
(2r,3s,4r,5s)-N-(4-Fluorophenyl)-3,4,5-Trihydroxy-2-(Hydroxymethyl)piperidine-1-Carbothioamide
(2R,3S,4R,5S)-N-(4-Fluorphenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidincarbothioamid [German] [ACD/IUPAC Name]
1-Piperidinecarbothioamide, N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)-, (2R,3S,4R,5S)- [ACD/Index Name]
1609458-32-3 [RN]
2OZ
DGJ-pFPhT

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

Density: 1.6±0.1 g/cm3
Boiling Point: 482.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 245.9±31.5 °C
Index of Refraction: 1.727
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.43
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.43
Polar Surface Area: 128 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 98.6±3.0 dyne/cm
Molar Volume: 197.7±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement