Found 7 results

Search term: YEWOHTVJCCDCCS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,4R,5S)-3,4,5-Trihydroxy-6-oxo-2-piperidinecarboxylic acid | C6H9NO6

(3R,4R,5S)-3,4,5-Trihydroxy-6-oxo-2-piperidinecarboxylic acid

  • Molecular FormulaC6H9NO6
  • Average mass191.139 Da
  • Monoisotopic mass191.042984 Da
  • ChemSpider ID61699112

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3R,4R,5S)-3,4,5-Trihydroxy-6-oxo-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4R,5S)-3,4,5-Trihydroxy-6-oxo-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 3,4,5-trihydroxy-6-oxo-, (3R,4R,5S)- [ACD/Index Name]
Acide (3R,4R,5S)-3,4,5-trihydroxy-6-oxo-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]
2089577-17-1 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 597.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 315.4±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 37.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.67
ACD/LogD (pH 5.5): -5.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 121.3±3.0 dyne/cm
Molar Volume: 102.2±3.0 cm3

Click to predict properties on the Chemicalize site


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