ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C35H58O5

(2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC35H58O5
  • Average mass558.832 Da
  • Monoisotopic mass558.428406 Da
  • ChemSpider ID24765882

  • 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,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2S)-1-hydroxy-3-[(9Z)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
1-Myristoleoyl-2-stearidonoyl-sn-glycerol
DAG(14:1/18:4)
DAG(14:1n5/18:4n3)
DAG(14:1w5/18:4w3)
DAG(32:5)
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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: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 180.9±25.0 °C
Index of Refraction: 1.497
Molar Refractivity: 169.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 11.50
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2899503.75
ACD/LogD (pH 7.4): 9.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2899503.75
Polar Surface Area: 73 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 579.2±3.0 cm3

Click to predict properties on the Chemicalize site


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