ChemSpider 2D Image | (2S)-3-Hydroxy-1,2-propanediyl (6Z,9Z,12Z,15Z,6'Z,9'Z,12'Z,15'Z)bis(-6,9,12,15-octadecatetraenoate) | C39H60O5

(2S)-3-Hydroxy-1,2-propanediyl (6Z,9Z,12Z,15Z,6'Z,9'Z,12'Z,15'Z)bis(-6,9,12,15-octadecatetraenoate)

  • Molecular FormulaC39H60O5
  • Average mass608.891 Da
  • Monoisotopic mass608.444092 Da
  • ChemSpider ID24766075

  • 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)-3-Hydroxy-1,2-propandiyl-(6Z,9Z,12Z,15Z,6'Z,9'Z,12'Z,15'Z)bis(-6,9,12,15-octadecatetraenoat) [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl (6Z,9Z,12Z,15Z,6'Z,9'Z,12'Z,15'Z)bis(-6,9,12,15-octadecatetraenoate) [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z,6'Z,9'Z,12'Z,15'Z)Bis(-6,9,12,15-octadécatétraénoate) de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester, (6Z,9Z,12Z,15Z,6'Z,9'Z,12'Z,15'Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
1,2-di-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
1,2-Distearidonoyl-rac-glycerol
DAG(18:4/18:4)
DAG(18:4n3/18:4n3)
DAG(18:4w3/18:4w3)
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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: 666.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 188.9±25.0 °C
Index of Refraction: 1.513
Molar Refractivity: 188.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 11.81
ACD/LogD (pH 5.5): 9.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3213773.25
ACD/LogD (pH 7.4): 9.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3213773.25
Polar Surface Area: 73 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 626.1±3.0 cm3

Click to predict properties on the Chemicalize site


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