ChemSpider 2D Image | ACPT-I | C8H11NO6

ACPT-I

  • Molecular FormulaC8H11NO6
  • Average mass217.176 Da
  • Monoisotopic mass217.058640 Da
  • ChemSpider ID23130140
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,2S,4s)-4-Amino-1,2,4-cyclopentanetricarboxylic acid [ACD/IUPAC Name]
(1R,2S,4s)-4-Amino-1,2,4-cyclopentantricarbonsäure [German] [ACD/IUPAC Name]
(1R,2S,4s)-4-Aminocyclopentane-1,2,4-tricarboxylic acid
1,2,4-Cyclopentanetricarboxylic acid, 4-amino-, (1α,2α,4β)- [ACD/Index Name]
194918-76-8 [RN]
Acide (1R,2S,4s)-4-amino-1,2,4-cyclopentanetricarboxylique [French] [ACD/IUPAC Name]
ACPT-I
(1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic acid
(1S,2R,4s)-4-aminocyclopentane-1,2,4-tricarboxylic acid
(1S,2R,4S)-4-Amino-cyclopentane-1,2,4-tricarboxylic acid
More...
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      Soluble to 10 mM in water and to 100 mM in 1.1eq. NaOH Tocris Bioscience 1111
      Soluble to 10 mM in water and to 50 mM in 1.1eq. NaOH Tocris Bioscience 1111
  • Miscellaneous
    • Safety:

      Sold with the permission of the CNRS Tocris Bioscience 1111
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1111
      Agonist for group III mGlu receptors (EC50 values are 7.2 and 8.2 ?M for mGlu4a and mGlu8 respectively). Anticonvulsant in mice. Tocris Bioscience 1111
      Agonist for group III mGlu receptors (EC50 values are 7.2 and 8.2 muM for mGlu4a and mGlu8 respectively). Anticonvulsant in mice. Tocris Bioscience 1111
      Glutamate (Metabotropic) Group III Receptors Tocris Bioscience 1111
      Glutamate (Metabotropic) Receptors Tocris Bioscience 1111
      Group III mGlu agonist Tocris Bioscience 1111

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 440.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±6.0 kJ/mol
Flash Point: 220.2±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 44.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -4.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 94.0±3.0 dyne/cm
Molar Volume: 131.5±3.0 cm3

Click to predict properties on the Chemicalize site






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