Found 18 results

Search term: MF = 'C_{23}H_{37}NO_{7}S'
ChemSpider 2D Image | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfonyl}-5-hydroxy-7,9,11,14-icosatetraenoic acid | C23H37NO7S

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfonyl}-5-hydroxy-7,9,11,14-icosatetraenoic acid

  • Molecular FormulaC23H37NO7S
  • Average mass471.607 Da
  • Monoisotopic mass471.229065 Da
  • ChemSpider ID115284924

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfonyl}-5-hydroxy-7,9,11,14-icosatetraenoic acid [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfonyl}-5-hydroxy-7,9,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoic acid, 6-[[(2R)-2-amino-2-carboxyethyl]sulfonyl]-5-hydroxy-, (5S,6R,7E,9E,11Z,14Z)- [ACD/Index Name]
Acide (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-carboxyéthyl]sulfonyl}-5-hydroxy-7,9,11,14-icosatétraénoïque [French] [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfonyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
82850-11-1 [RN]
Leukotriene E-4 sulfone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 747.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.3±6.0 kJ/mol
Flash Point: 405.6±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 395.2±3.0 cm3

Click to predict properties on the Chemicalize site


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