ChemSpider 2D Image | (2S,3R,4S,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol | C10H21NO4

(2S,3R,4S,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol

  • Molecular FormulaC10H21NO4
  • Average mass219.278 Da
  • Monoisotopic mass219.147064 Da
  • ChemSpider ID34978168

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4S,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2S,3R,4S,5S)-1-Butyl-2-(hydroxyméthyl)-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2S,3R,4S,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2S,3R,4S,5S)- [ACD/Index Name]
(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
72599-27-0 [RN]
N-(n-Butyl)-1-deoxynojirimycin
NB-DNJ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 394.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±6.0 kJ/mol
Flash Point: 215.4±26.5 °C
Index of Refraction: 1.546
Molar Refractivity: 56.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.46
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): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.08
Polar Surface Area: 84 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 177.6±3.0 cm3

Click to predict properties on the Chemicalize site


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