ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (15Z)-15-tetracosenoate | C45H80O5

(2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (15Z)-15-tetracosenoate

  • Molecular FormulaC45H80O5
  • Average mass701.114 Da
  • Monoisotopic mass700.600586 Da
  • ChemSpider ID24766063

  • 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-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-2-propanyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (1S)-2-hydroxy-1-[[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]methyl]ethyl ester, (15Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate
1-a-Linolenoyl-2-nervonoyl-sn-glycerol
1-α-Linolenoyl-2-nervonoyl-sn-glycerol
DAG(18:3/24:1)
DAG(18:3n3/24:1n9)
DAG(18:3w3/24:1w9)
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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: 727.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.3±6.0 kJ/mol
Flash Point: 196.2±23.6 °C
Index of Refraction: 1.487
Molar Refractivity: 215.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 17.42
ACD/LogD (pH 5.5): 14.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 750.6±3.0 cm3

Click to predict properties on the Chemicalize site


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