Found 1 result

Search term: HSOPYIWJVCVZBS-VSSNEEPJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,3R,4R,5R,6S)-2-Hexyl-6-methyl-3,4,5-piperidinetriol | C12H25NO3

(2R,3R,4R,5R,6S)-2-Hexyl-6-methyl-3,4,5-piperidinetriol

  • Molecular FormulaC12H25NO3
  • Average mass231.332 Da
  • Monoisotopic mass231.183441 Da
  • ChemSpider ID30839654

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4R,5R,6S)-2-Hexyl-6-methyl-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2R,3R,4R,5R,6S)-2-Hexyl-6-méthyl-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2R,3R,4R,5R,6S)-2-Hexyl-6-methyl-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
3,4,5-Piperidinetriol, 2-hexyl-6-methyl-, (2R,3R,4R,5R,6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 355.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.6±6.0 kJ/mol
Flash Point: 106.5±18.5 °C
Index of Refraction: 1.499
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.62
Polar Surface Area: 73 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 217.0±3.0 cm3

Click to predict properties on the Chemicalize site


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