ChemSpider 2D Image | (2R,3R,4S)-2-(Hydroxymethyl)-1-(8-quinolinylmethyl)-3,4-pyrrolidinediol | C15H18N2O3

(2R,3R,4S)-2-(Hydroxymethyl)-1-(8-quinolinylmethyl)-3,4-pyrrolidinediol

  • Molecular FormulaC15H18N2O3
  • Average mass274.315 Da
  • Monoisotopic mass274.131744 Da
  • ChemSpider ID23342305
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,3R,4S)-1-(8-Chinolinylmethyl)-2-(hydroxymethyl)-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2R,3R,4S)-2-(Hydroxyméthyl)-1-(8-quinoléinylméthyl)-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
(2R,3R,4S)-2-(Hydroxymethyl)-1-(8-quinolinylmethyl)-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-(8-quinolinylmethyl)-, (2R,3R,4S)- [ACD/Index Name]
1,4-Dideoxy-1,4-imino-N-(8-quinolinyl)methyl-Dribitol
IMQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 514.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.9±28.2 °C
Index of Refraction: 1.700
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.72
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.33
Polar Surface Area: 77 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 76.9±3.0 dyne/cm
Molar Volume: 198.0±3.0 cm3

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