ChemSpider 2D Image | 18-carboxy-19,20-dinor-leukotriene E4 | C21H31NO7S

18-carboxy-19,20-dinor-leukotriene E4

  • Molecular FormulaC21H31NO7S
  • Average mass441.538 Da
  • Monoisotopic mass441.182129 Da
  • ChemSpider ID29368146

  • 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

(4Z,7Z,9E,11E,13R,14S)-13-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-14-hydroxy-4,7,9,11-octadecatetraendisäure [German] [ACD/IUPAC Name]
(4Z,7Z,9E,11E,13R,14S)-13-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-14-hydroxy-4,7,9,11-octadecatetraenedioic acid [ACD/IUPAC Name]
18-carboxy-19,20-dinor-leukotriene E4
4,7,9,11-Octadecatetraenedioic acid, 13-[[(2R)-2-amino-2-carboxyethyl]thio]-14-hydroxy-, (4Z,7Z,9E,11E,13R,14S)- [ACD/Index Name]
Acide (4Z,7Z,9E,11E,13R,14S)-13-{[(2R)-2-amino-2-carboxyéthyl]sulfanyl}-14-hydroxy-4,7,9,11-octadécatétraènedioïque [French] [ACD/IUPAC Name]
(4Z,7Z,9E,11E,13R,14S)-13-(L-cystein-S-yl)-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid; (4Z,7Z,9E,11E,13R,14S)-13-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-14-hydroxyoctadeca-4,7,9,11-tetraenedioic a
(4Z,7Z,9E,11E,13R,14S)-13-(L-cystein-S-yl)-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid; (4Z,7Z,9E,11E,13R,14S)-13-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid
(4Z,7Z,9E,11E,13R,14S)-13-(L-cystein-S-yl)-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid;(4Z,7Z,9E,11E,13R,14S)-13-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid
18-carboxy-19,20-dinor-LTE4
18-carboxy-dinor-leukotriene E4
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 751.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.0±6.0 kJ/mol
Flash Point: 408.5±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 2.67
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 349.8±3.0 cm3

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