ChemSpider 2D Image | (2R,3S,4R,5R)-3,4,5-Trihydroxy-2-piperidinecarboxylic acid | C6H11NO5

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

  • Molecular FormulaC6H11NO5
  • Average mass177.155 Da
  • Monoisotopic mass177.063721 Da
  • ChemSpider ID23330432

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,4R,5R)-3,4,5-Trihydroxy-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
(2R,3S,4R,5R)-3,4,5-Trihydroxy-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 3,4,5-trihydroxy-, (2R,3S,4R,5R)- [ACD/Index Name]
Acide (2R,3S,4R,5R)-3,4,5-trihydroxy-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]
(2R,3S,4R,5R)-3,4,5-Trihydroxypipecolic acid
(2R,3S,4R,5R)-3,4,5-trihydroxypiperidine-2-carboxylic acid
1073611-11-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447744/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 442.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 221.1±28.7 °C
Index of Refraction: 1.623
Molar Refractivity: 37.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -4.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 99.7±3.0 dyne/cm
Molar Volume: 105.7±3.0 cm3

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