ChemSpider 2D Image | (2R,3R,4R,5R,6S)-2-(Aminomethyl)-6-methyl-3,4,5-piperidinetriol | C7H16N2O3

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

  • Molecular FormulaC7H16N2O3
  • Average mass176.214 Da
  • Monoisotopic mass176.116089 Da
  • ChemSpider ID25058372

  • 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-(Aminomethyl)-6-methyl-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2R,3R,4R,5R,6S)-2-(Aminométhyl)-6-méthyl-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2R,3R,4R,5R,6S)-2-(Aminomethyl)-6-methyl-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
(2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
3,4,5-Piperidinetriol, 2-(aminomethyl)-6-methyl-, (2R,3R,4R,5R,6S)- [ACD/Index Name]
637767-83-0 [RN]
ZWZ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 338.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.4±6.0 kJ/mol
Flash Point: 158.7±27.9 °C
Index of Refraction: 1.551
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -5.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 138.2±3.0 cm3

Click to predict properties on the Chemicalize site


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