ChemSpider 2D Image | DG(18:0/18:3(9Z,12Z,15Z)/0:0) | C39H70O5

DG(18:0/18:3(9Z,12Z,15Z)/0:0)

  • Molecular FormulaC39H70O5
  • Average mass618.970 Da
  • Monoisotopic mass618.522339 Da
  • ChemSpider ID7822673

  • 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-(stearoyloxy)-2-propanyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(stearoyloxy)-2-propanyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (2S)-1-hydroxy-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1S)-2-hydroxy-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
DG(18:0/18:3(9Z,12Z,15Z)/0:0)
(2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
1-Stearoyl-2-a-linolenoyl-sn-glycerol
1-Stearoyl-2-α-linolenoyl-sn-glycerol
DAG(18:0/18:3)
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010057 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 670.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 186.7±22.2 °C
Index of Refraction: 1.483
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 14.75
ACD/LogD (pH 5.5): 12.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 658.0±3.0 cm3

Click to predict properties on the Chemicalize site


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