ChemSpider 2D Image | (5S,6R,7E,9E,11Z,14Z)-6-({(2R)-2-Amino-3-[(1,3-dihydroxy-2-propanyl)oxy]-3-oxopropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraenoic acid | C26H43NO7S

(5S,6R,7E,9E,11Z,14Z)-6-({(2R)-2-Amino-3-[(1,3-dihydroxy-2-propanyl)oxy]-3-oxopropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraenoic acid

  • Molecular FormulaC26H43NO7S
  • Average mass513.687 Da
  • Monoisotopic mass513.276001 Da
  • ChemSpider ID117217035

  • 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-3-[(1,3-dihydroxy-2-propanyl)oxy]-3-oxopropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraenoic acid [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-6-({(2R)-2-Amino-3-[(1,3-dihydroxy-2-propanyl)oxy]-3-oxopropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoic acid, 6-[[(2R)-2-amino-3-[2-hydroxy-1-(hydroxymethyl)ethoxy]-3-oxopropyl]thio]-5-hydroxy-, (5S,6R,7E,9E,11Z,14Z)- [ACD/Index Name]
Acide (5S,6R,7E,9E,11Z,14Z)-6-({(2R)-2-amino-3-[(1,3-dihydroxy-2-propanyl)oxy]-3-oxopropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatétraénoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 392.7±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 4.93
ACD/KOC (pH 5.5): 44.41
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 176 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 441.9±3.0 cm3

Click to predict properties on the Chemicalize site


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