Found 49 results

Search term: MF = 'C_{23}H_{39}NO_{5}S'
ChemSpider 2D Image | (7E,9E,11E)-6-[(2-Amino-2-carboxyethyl)sulfanyl]-5-hydroxy-7,9,11-icosatrienoic acid | C23H39NO5S

(7E,9E,11E)-6-[(2-Amino-2-carboxyethyl)sulfanyl]-5-hydroxy-7,9,11-icosatrienoic acid

  • Molecular FormulaC23H39NO5S
  • Average mass441.625 Da
  • Monoisotopic mass441.254883 Da
  • ChemSpider ID34948199

  • Double-bond stereo - Double-bond stereo

More details:

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

(7E,9E,11E)-6-[(2-Amino-2-carboxyethyl)sulfanyl]-5-hydroxy-7,9,11-icosatrienoic acid [ACD/IUPAC Name]
(7E,9E,11E)-6-[(2-Amino-2-carboxyethyl)sulfanyl]-5-hydroxy-7,9,11-icosatriensäure [German] [ACD/IUPAC Name]
7,9,11-Eicosatrienoic acid, 6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-, (7E,9E,11E)- [ACD/Index Name]
Acide (7E,9E,11E)-6-[(2-amino-2-carboxyéthyl)sulfanyl]-5-hydroxy-7,9,11-icosatriénoïque [French] [ACD/IUPAC Name]
LTE3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±6.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 124.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 7.48
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.29
Polar Surface Area: 146 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 394.6±3.0 cm3

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