ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyl (15Z)-15-tetracosenoate | C47H84O5

(2S)-1-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyl (15Z)-15-tetracosenoate

  • Molecular FormulaC47H84O5
  • Average mass729.167 Da
  • Monoisotopic mass728.631897 Da
  • ChemSpider ID24766174

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(15Z)-15-Tétracosénoate de (2S)-1-hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-propanyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (1S)-2-hydroxy-1-[[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]methyl]ethyl ester, (15Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate
1-Meadoyl-2-nervonoyl-sn-glycerol
DAG(20:3/24:1)
DAG(20:3n9/24:1n9)
DAG(20:3w9/24:1w9)
DAG(44:4)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 746.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.1±6.0 kJ/mol
Flash Point: 199.0±26.4 °C
Index of Refraction: 1.486
Molar Refractivity: 225.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 18.60
ACD/LogD (pH 5.5): 16.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 783.7±3.0 cm3

Click to predict properties on the Chemicalize site


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