ChemSpider 2D Image | (2R,3S,4s,5R,6S)-2,6-Bis(hydroxymethyl)-3,4,5-piperidinetriol | C7H15NO5

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

  • Molecular FormulaC7H15NO5
  • Average mass193.198 Da
  • Monoisotopic mass193.095016 Da
  • ChemSpider ID61659168

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4s,5R,6S)-2,6-Bis(hydroxymethyl)-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2R,3S,4s,5R,6S)-2,6-Bis(hydroxyméthyl)-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2R,3S,4s,5R,6S)-2,6-Bis(hydroxymethyl)-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
3,4,5-Piperidinetriol, 2,6-bis(hydroxymethyl)-, (2α,3α,4α,5α,6α)- [ACD/Index Name]
1161746-57-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 432.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 224.7±19.3 °C
Index of Refraction: 1.583
Molar Refractivity: 43.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.62
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 113 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 130.6±3.0 cm3

Click to predict properties on the Chemicalize site


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