ChemSpider 2D Image | (2R,3S,4R,5R,6S)-2-Ethyl-6-(hydroxymethyl)-3,4,5-piperidinetriol | C8H17NO4

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

  • Molecular FormulaC8H17NO4
  • Average mass191.225 Da
  • Monoisotopic mass191.115753 Da
  • ChemSpider ID30841856

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4R,5R,6S)-2-Ethyl-6-(hydroxymethyl)-3,4,5-piperidinetriol [ACD/IUPAC Name]
(2R,3S,4R,5R,6S)-2-Éthyl-6-(hydroxyméthyl)-3,4,5-pipéridinetriol [French] [ACD/IUPAC Name]
(2R,3S,4R,5R,6S)-2-Ethyl-6-(hydroxymethyl)-3,4,5-piperidintriol [German] [ACD/IUPAC Name]
3,4,5-Piperidinetriol, 2-ethyl-6-(hydroxymethyl)-, (2R,3S,4R,5R,6S)- [ACD/Index Name]
616215-31-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 364.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.6±6.0 kJ/mol
Flash Point: 168.5±18.5 °C
Index of Refraction: 1.537
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.07
Polar Surface Area: 93 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 149.6±3.0 cm3

Click to predict properties on the Chemicalize site


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