ChemSpider 2D Image | (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5-hydroxy(16,16,17,17,18,18,19,19,20,20,20-~2~H_11_)-7,9,11,14-icosatetraenoic acid | C23H26D11NO5S

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5-hydroxy(16,16,17,17,18,18,19,19,20,20,20-2H11)-7,9,11,14-icosatetraenoic acid

  • Molecular FormulaC23H26D11NO5S
  • Average mass450.676 Da
  • Monoisotopic mass450.308289 Da
  • ChemSpider ID48061447

  • 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

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5-hydroxy(16,16,17,17,18,18,19,19,20,20,20-2H11)-7,9,11,14-icosatetraenoic acid [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5-hydroxy(16,16,17,17,18,18,19,19,20,20,20-2H11)-7,9,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
1356578-40-9 [RN]
7,9,11,14-Eicosatetraenoic-16,16,17,17,18,18,19,19,20,20,20-d11 acid, 6-[[(2R)-2-amino-2-carboxyethyl]thio]-5-hydroxy-, (5S,6R,7E,9E,11Z,14Z)- [ACD/Index Name]
Acide (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-carboxyéthyl]sulfanyl}-5-hydroxy(16,16,17,17,18,18,19,19,20,20,20-2H11)-7,9,11,14-icosatétraénoïque [French] [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-16,16,17,17,18,18,19,19,20,20,20-undecadeuterio-5-hydroxyicosa-7,9,11,14-tetraenoic 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


Advertisement