ChemSpider 2D Image | Leukotriene E4-d5 | C23H32D5NO5S

Leukotriene E4-d5

  • Molecular FormulaC23H32D5NO5S
  • Average mass444.639 Da
  • Monoisotopic mass444.270630 Da
  • ChemSpider ID29341896

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5R,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5-hydroxy(19,19,20,20,20-2H5)-7,9,11,14-icosatetraenoic acid [ACD/IUPAC Name]
(5R,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5-hydroxy(19,19,20,20,20-2H5)-7,9,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
1240398-14-4 [RN]
7,9,11,14-Eicosatetraenoic-19,19,20,20,20-d5 acid, 6-[[(2R)-2-amino-2-carboxyethyl]thio]-5-hydroxy-, (5R,6R,7E,9E,11Z,14Z)- [ACD/Index Name]
Acide (5R,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-carboxyéthyl]sulfanyl}-5-hydroxy(19,19,20,20,20-2H5)-7,9,11,14-icosatétraénoïque [French] [ACD/IUPAC Name]
Leukotriene E4-d5
5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11Z,14Z-eicosatetraenoic-19,19,20,20,20-d5 acid

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

Density: 1.1±0.1 g/cm3
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: 1.557
Molar Refractivity: 124.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 5.46
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.40
Polar Surface Area: 146 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 388.2±3.0 cm3

Click to predict properties on the Chemicalize site


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