ChemSpider 2D Image | (3R)-1-(1H-Imidazol-4-ylsulfonyl)-3-piperidinecarboxylic acid | C9H13N3O4S

(3R)-1-(1H-Imidazol-4-ylsulfonyl)-3-piperidinecarboxylic acid

  • Molecular FormulaC9H13N3O4S
  • Average mass259.282 Da
  • Monoisotopic mass259.062683 Da
  • ChemSpider ID32798138

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-(1H-Imidazol-4-ylsulfonyl)-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
(3R)-1-(1H-Imidazol-4-ylsulfonyl)-3-piperidinecarboxylic acid [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-(1H-imidazol-5-ylsulfonyl)-, (3R)- [ACD/Index Name]
Acide (3R)-1-(1H-imidazol-4-ylsulfonyl)-3-pipéridinecarboxylique [French] [ACD/IUPAC 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: 600.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.7±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 58.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 168.6±3.0 cm3

Click to predict properties on the Chemicalize site


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