ChemSpider 2D Image | (2Z,4S)-2-(5-{2-[2-(2-Methoxyethoxy)ethoxy]ethoxy}-6-oxo-2,4-cyclohexadien-1-ylidene)-4-methyl-1,3-thiazolidine-4-carboxylic acid | C18H25NO7S

(2Z,4S)-2-(5-{2-[2-(2-Methoxyethoxy)ethoxy]ethoxy}-6-oxo-2,4-cyclohexadien-1-ylidene)-4-methyl-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC18H25NO7S
  • Average mass399.459 Da
  • Monoisotopic mass399.135162 Da
  • ChemSpider ID68025245

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z,4S)-2-(5-{2-[2-(2-Methoxyethoxy)ethoxy]ethoxy}-6-oxo-2,4-cyclohexadien-1-yliden)-4-methyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2Z,4S)-2-(5-{2-[2-(2-Methoxyethoxy)ethoxy]ethoxy}-6-oxo-2,4-cyclohexadien-1-ylidene)-4-methyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxo-2,4-cyclohexadien-1-ylidene]-4-methyl-, (2Z,4S)- [ACD/Index Name]
Acide (2Z,4S)-2-(5-{2-[2-(2-méthoxyéthoxy)éthoxy]éthoxy}-6-oxo-2,4-cyclohexadién-1-ylidène)-4-méthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
945635-15-4 [RN]
Deferitazole [INN] [USAN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 329.6±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.26
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 304.4±5.0 cm3

Click to predict properties on the Chemicalize site


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