ChemSpider 2D Image | (1S,2S,4R)-1-Amino-1,2,4-cyclopentanetricarboxylic acid | C8H11NO6

(1S,2S,4R)-1-Amino-1,2,4-cyclopentanetricarboxylic acid

  • Molecular FormulaC8H11NO6
  • Average mass217.176 Da
  • Monoisotopic mass217.058640 Da
  • ChemSpider ID23301242
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,2S,4R)-1-Amino-1,2,4-cyclopentanetricarboxylic acid [ACD/IUPAC Name]
(1S,2S,4R)-1-Amino-1,2,4-cyclopentantricarbonsäure [German] [ACD/IUPAC Name]
1,2,4-Cyclopentanetricarboxylic acid, 1-amino-, (1S,2S,4R)- [ACD/Index Name]
Acide (1S,2S,4R)-1-amino-1,2,4-cyclopentanetricarboxylique [French] [ACD/IUPAC Name]
(1S,2S,4R)-1-aminocyclopentane-1,2,4-tricarboxylic acid
CHEMBL240128

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: -1.43
ACD/LogD (pH 5.5): -5.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.79
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

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