ChemSpider 2D Image | (2S)-1-Hydroxy-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl (13Z)-13-docosenoate | C43H74O5

(2S)-1-Hydroxy-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl (13Z)-13-docosenoate

  • Molecular FormulaC43H74O5
  • Average mass671.045 Da
  • Monoisotopic mass670.553650 Da
  • ChemSpider ID24766085

  • 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

(13Z)-13-Docosénoate de (2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1S)-2-hydroxy-1-[[[(6Z,9Z,12Z,15Z)-1-oxo-6,9,12,15-octadecatetraen-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (13Z)-docos-13-enoate
1-Stearidonoyl-2-erucoyl-sn-glycerol
DAG(18:4/22:1)
DAG(18:4n3/22:1n9)
DAG(18:4w3/22:1w9)
DAG(40:5)
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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: 0.9±0.1 g/cm3
Boiling Point: 707.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 193.7±26.4 °C
Index of Refraction: 1.493
Molar Refractivity: 206.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.75
ACD/LogD (pH 5.5): 13.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 711.2±3.0 cm3

Click to predict properties on the Chemicalize site


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