ChemSpider 2D Image | (2S)-3-Hydroxy-2-[(9Z)-9-octadecenoyloxy]propyl (15Z)-15-tetracosenoate | C45H84O5

(2S)-3-Hydroxy-2-[(9Z)-9-octadecenoyloxy]propyl (15Z)-15-tetracosenoate

  • Molecular FormulaC45H84O5
  • Average mass705.146 Da
  • Monoisotopic mass704.631897 Da
  • ChemSpider ID24766485

  • 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)-3-hydroxy-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z)-9-octadecenoyloxy]propyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-[(9Z)-9-octadecenoyloxy]propyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (2S)-3-hydroxy-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (15Z)- [ACD/Index Name]
(2S)-3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propyl (15Z)-tetracos-15-enoate
1-Nervonoyl-2-oleoyl-sn-glycerol
DAG(24:1/18:1)
DAG(24:1n9/18:1n9)
DAG(24:1w9/18:1w9)
DAG(42:2)
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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: 725.8±30.0 °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: 194.3±18.1 °C
Index of Refraction: 1.477
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 18.62
ACD/LogD (pH 5.5): 16.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 763.4±3.0 cm3

Click to predict properties on the Chemicalize site


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