ChemSpider 2D Image | 6-[(2-Ammonio-2-carboxylatoethyl)sulfanyl]-5-hydroxy-7,9,11,14-icosatetraenoate | C23H36NO5S

6-[(2-Ammonio-2-carboxylatoethyl)sulfanyl]-5-hydroxy-7,9,11,14-icosatetraenoate

  • Molecular FormulaC23H36NO5S
  • Average mass438.601 Da
  • Monoisotopic mass438.231964 Da
  • ChemSpider ID24810362

  • Charge - Charge

More details:

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

6-[(2-Ammonio-2-carboxylatoethyl)sulfanyl]-5-hydroxy-7,9,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
6-[(2-Ammonio-2-carboxylatoethyl)sulfanyl]-5-hydroxy-7,9,11,14-icosatetraenoate [ACD/IUPAC Name]
6-[(2-Ammonio-2-carboxylatoéthyl)sulfanyl]-5-hydroxy-7,9,11,14-icosatétraénoate [French] [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoic acid, 6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-, inner salt, ion(1-) [ACD/Index Name]
ZINC13540466

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

Density:
Boiling Point: 674.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±6.0 kJ/mol
Flash Point: 361.5±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 6.05
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.67
Polar Surface Area: 153 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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