ChemSpider 2D Image | (2R,3S,6R)-6-[(11S)-11-Hydroxydodecyl]-2-(hydroxymethyl)-3-piperidinol | C18H37NO3

(2R,3S,6R)-6-[(11S)-11-Hydroxydodecyl]-2-(hydroxymethyl)-3-piperidinol

  • Molecular FormulaC18H37NO3
  • Average mass315.491 Da
  • Monoisotopic mass315.277344 Da
  • ChemSpider ID62881462

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,6R)-6-[(11S)-11-Hydroxydodecyl]-2-(hydroxymethyl)-3-piperidinol [German] [ACD/IUPAC Name]
(2R,3S,6R)-6-[(11S)-11-Hydroxydodecyl]-2-(hydroxymethyl)-3-piperidinol [ACD/IUPAC Name]
(2R,3S,6R)-6-[(11S)-11-Hydroxydodécyl]-2-(hydroxyméthyl)-3-pipéridinol [French] [ACD/IUPAC Name]
14058-38-9 [RN]
2-Piperidineundecanol, 5-hydroxy-6-(hydroxymethyl)-α-methyl-, (αS,2R,5S,6R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 472.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.8±6.0 kJ/mol
Flash Point: 93.4±15.1 °C
Index of Refraction: 1.485
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 15.05
Polar Surface Area: 73 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 318.6±3.0 cm3

Click to predict properties on the Chemicalize site


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