ChemSpider 2D Image | (2S,3R,4S,5R)-2-Isopropyl-3,4,5-piperidinetriol | C8H17NO3

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

  • Molecular FormulaC8H17NO3
  • Average mass175.225 Da
  • Monoisotopic mass175.120850 Da
  • ChemSpider ID25058454
  • 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-(1-methylethyl)piperidine-3,4,5-triol
(2S,3R,4S,5R)-2-Isopropyl-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2S,3R,4S,5R)-2-Isopropyl-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2S,3R,4S,5R)-2-Isopropyl-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
3,4,5-Piperidinetriol, 2-(1-methylethyl)-, (2S,3R,4S,5R)- [ACD/Index Name]
887947-89-9 [RN]
ZXD

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

Density: 1.2±0.1 g/cm3
Boiling Point: 298.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.5±6.0 kJ/mol
Flash Point: 126.7±17.9 °C
Index of Refraction: 1.531
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.92
Polar Surface Area: 73 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 145.6±3.0 cm3

Click to predict properties on the Chemicalize site






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