ChemSpider 2D Image | (2R,4R,5R)-2,4,5-Piperidinetricarboxylic acid | C8H11NO6

(2R,4R,5R)-2,4,5-Piperidinetricarboxylic acid

  • Molecular FormulaC8H11NO6
  • Average mass217.176 Da
  • Monoisotopic mass217.058640 Da
  • ChemSpider ID110540334

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4R,5R)-2,4,5-Piperidinetricarboxylic acid [ACD/IUPAC Name]
(2R,4R,5R)-2,4,5-Piperidintricarbonsäure [German] [ACD/IUPAC Name]
2,4,5-Piperidinetricarboxylic acid, (2R,4R,5R)- [ACD/Index Name]
Acide (2R,4R,5R)-2,4,5-pipéridinetricarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 505.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.9±6.0 kJ/mol
Flash Point: 259.5±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 139.2±3.0 cm3

Click to predict properties on the Chemicalize site


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