ChemSpider 2D Image | (5R,6S,7E,9E,11Z,14Z)-6-({(2R)-2-Amino-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy(14,15-~3~H_2_)-7,9,11,14-icosatetraenoic acid | C25H38T2N2O6S

(5R,6S,7E,9E,11Z,14Z)-6-({(2R)-2-Amino-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy(14,15-3H2)-7,9,11,14-icosatetraenoic acid

  • Molecular FormulaC25H38T2N2O6S
  • Average mass500.676 Da
  • Monoisotopic mass500.277161 Da
  • ChemSpider ID57267810
  • 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,6S,7E,9E,11Z,14Z)-6-({(2R)-2-Amino-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy(14,15-3H2)-7,9,11,14-icosatetraenoic acid [ACD/IUPAC Name]
(5R,6S,7E,9E,11Z,14Z)-6-({(2R)-2-Amino-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy(14,15-3H2)-7,9,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoic-14,15-t2 acid, 6-[[(2R)-2-amino-3-[(carboxymethyl)imino]-3-hydroxypropyl]thio]-5-hydroxy-, (5R,6S,7E,9E,11Z,14Z)- [ACD/Index Name]
Acide (5R,6S,7E,9E,11Z,14Z)-6-({(2R)-2-amino-3-[(carboxyméthyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy(14,15-3H2)-7,9,11,14-icosatétraénoïque [French] [ACD/IUPAC Name]
LEUKOTRIENE D4-[14,15,19,20-3H(N)]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 748.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.5±6.0 kJ/mol
Flash Point: 406.4±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability:
Surface Tension:
Molar Volume:

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