ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C39H62O5

(2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC39H62O5
  • Average mass610.907 Da
  • Monoisotopic mass610.459717 Da
  • ChemSpider ID24765897

  • 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

(2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2S)-1-hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(9Z-tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
1-Myristoleoyl-2-docosahexaenoyl-sn-glycerol
DAG(14:1/22:6)
DAG(14:1n5/22:6n3)
DAG(14:1w5/22:6w3)
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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: 1.0±0.1 g/cm3
Boiling Point: 667.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±6.0 kJ/mol
Flash Point: 188.4±25.0 °C
Index of Refraction: 1.507
Molar Refractivity: 188.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 12.39
ACD/LogD (pH 5.5): 10.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7702961.50
ACD/LogD (pH 7.4): 10.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7702961.50
Polar Surface Area: 73 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 632.4±3.0 cm3

Click to predict properties on the Chemicalize site


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