ChemSpider 2D Image | (2R,3S,4R,5R,6S)-2-(2,3-Dihydroxypropyl)-6-(hydroxymethyl)-3,4,5-piperidinetriol | C9H19NO6

(2R,3S,4R,5R,6S)-2-(2,3-Dihydroxypropyl)-6-(hydroxymethyl)-3,4,5-piperidinetriol

  • Molecular FormulaC9H19NO6
  • Average mass237.250 Da
  • Monoisotopic mass237.121231 Da
  • ChemSpider ID24668981

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2R,3S,4R,5R,6S)-2-(2,3-Dihydroxypropyl)-6-(hydroxymethyl)-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2R,3S,4R,5R,6S)-2-(2,3-Dihydroxypropyl)-6-(hydroxyméthyl)-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2R,3S,4R,5R,6S)-2-(2,3-Dihydroxypropyl)-6-(hydroxymethyl)-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
3,4,5-Piperidinetriol, 2-(2,3-dihydroxypropyl)-6-(hydroxymethyl)-, (2R,3S,4R,5R,6S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 540.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 258.1±20.7 °C
Index of Refraction: 1.589
Molar Refractivity: 54.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -4.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 161.5±3.0 cm3

Click to predict properties on the Chemicalize site


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