ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C35H60O5

(2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC35H60O5
  • Average mass560.848 Da
  • Monoisotopic mass560.444092 Da
  • ChemSpider ID24765880

  • 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 (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (2S)-1-hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
1-Myristoleoyl-2-g-linolenoyl-sn-glycerol
1-Myristoleoyl-2-γ-linolenoyl-sn-glycerol
DAG(14:1/18:3)
DAG(14:1n5/18:3n6)
DAG(14:1w5/18:3w6)
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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: 628.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 180.4±25.0 °C
Index of Refraction: 1.491
Molar Refractivity: 169.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 12.18
ACD/LogD (pH 5.5): 10.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7656148.00
ACD/LogD (pH 7.4): 10.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7656148.00
Polar Surface Area: 73 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 585.6±3.0 cm3

Click to predict properties on the Chemicalize site


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