ChemSpider 2D Image | (2R,3R,4R,5S)-1-{4-[Dimethyl(phenyl)silyl]butyl}-2-(hydroxymethyl)-3,4,5-piperidinetriol | C18H31NO4Si

(2R,3R,4R,5S)-1-{4-[Dimethyl(phenyl)silyl]butyl}-2-(hydroxymethyl)-3,4,5-piperidinetriol

  • Molecular FormulaC18H31NO4Si
  • Average mass353.529 Da
  • Monoisotopic mass353.202240 Da
  • ChemSpider ID23202527

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R,4R,5S)-1-{4-[Dimethyl(phenyl)silyl]butyl}-2-(hydroxymethyl)-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2R,3R,4R,5S)-1-{4-[Diméthyl(phényl)silyl]butyl}-2-(hydroxyméthyl)-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2R,3R,4R,5S)-1-{4-[Dimethyl(phenyl)silyl]butyl}-2-(hydroxymethyl)-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
(2R,3R,4R,5S)-1-{4-[dimethyl(phenyl)silyl]butyl}-2-(hydroxymethyl)piperidine-3,4,5-triol
3,4,5-Piperidinetriol, 1-[4-(dimethylphenylsilyl)butyl]-2-(hydroxymethyl)-, (2R,3R,4R,5S)- [ACD/Index Name]
(2R,3R,4R,5S)-1-[4-(Dimethyl-phenyl-silanyl)-butyl]-2-hydroxymethyl-piperidine-3,4,5-triol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 270.0±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 25.72
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 71.25
ACD/KOC (pH 7.4): 659.98
Polar Surface Area: 84 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 302.0±5.0 cm3

Click to predict properties on the Chemicalize site


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