ChemSpider 2D Image | (3S,4R,5S)-2-(Hydroxymethyl)-1-nonyl-3,4,5-piperidinetriol | C15H31NO4

(3S,4R,5S)-2-(Hydroxymethyl)-1-nonyl-3,4,5-piperidinetriol

  • Molecular FormulaC15H31NO4
  • Average mass289.411 Da
  • Monoisotopic mass289.225311 Da
  • ChemSpider ID29787672

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(3S,4R,5S)-2-(Hydroxymethyl)-1-nonyl-3,4,5-piperidinetriol [ACD/IUPAC Name]
(3S,4R,5S)-2-(Hydroxyméthyl)-1-nonyl-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(3S,4R,5S)-2-(Hydroxymethyl)-1-nonyl-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-nonyl-, (3S,4R,5S)- [ACD/Index Name]
223771-83-3 [RN]
N-Nonyldeoxygalactonojirimycin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 224.5±27.4 °C
Index of Refraction: 1.522
Molar Refractivity: 79.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 21.60
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 52.47
ACD/KOC (pH 7.4): 533.15
Polar Surface Area: 84 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 260.2±3.0 cm3

Click to predict properties on the Chemicalize site


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