ChemSpider 2D Image | (2S,3R,4S,5R)-2-Benzyl-3,4,5-piperidinetriol | C12H17NO3

(2S,3R,4S,5R)-2-Benzyl-3,4,5-piperidinetriol

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID25057991
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2S,3R,4S,5R)-2-Benzyl-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2S,3R,4S,5R)-2-Benzyl-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2S,3R,4S,5R)-2-Benzyl-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
(2s,3r,4s,5r)-2-Benzylpiperidine-3,4,5-Triol
3,4,5-Piperidinetriol, 2-(phenylmethyl)-, (2S,3R,4S,5R)- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 391.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 158.3±18.5 °C
Index of Refraction: 1.620
Molar Refractivity: 60.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 73 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 171.7±3.0 cm3

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