Found 1 result

Search term: HPFMVRXUNVBIIS-CVJUOOOLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (6E,8Z,11Z,14Z)-5-(3-Sulfanylpropyl)-6,8,11,14-icosatetraenoic acid | C23H38O2S

(6E,8Z,11Z,14Z)-5-(3-Sulfanylpropyl)-6,8,11,14-icosatetraenoic acid

  • Molecular FormulaC23H38O2S
  • Average mass378.612 Da
  • Monoisotopic mass378.259247 Da
  • ChemSpider ID23116523

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,8Z,11Z,14Z)-5-(3-Sulfanylpropyl)-6,8,11,14-icosatetraenoic acid [ACD/IUPAC Name]
(6E,8Z,11Z,14Z)-5-(3-Sulfanylpropyl)-6,8,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
6,8,11,14-Eicosatetraenoic acid, 5-(3-mercaptopropyl)-, (6E,8Z,11Z,14Z)- [ACD/Index Name]
Acide (6E,8Z,11Z,14Z)-5-(3-sulfanylpropyl)-6,8,11,14-icosatétraénoïque [French] [ACD/IUPAC Name]
(6E,8Z,11Z,14Z)-5-(3-sulfanylpropyl)icosa-6,8,11,14-tetraenoic acid
5-(3-Mercapto-propyl)-icosa-6,8,11,14-tetraenoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL418364/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 523.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 270.4±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 54438.02
ACD/KOC (pH 5.5): 49362.38
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 864.79
ACD/KOC (pH 7.4): 784.16
Polar Surface Area: 76 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 391.7±3.0 cm3

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