ChemSpider 2D Image | (2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C36H64O5

(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC36H64O5
  • Average mass576.890 Da
  • Monoisotopic mass576.475403 Da
  • ChemSpider ID24765909

  • 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-(pentadecanoyloxy)-2-propanyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(pentadecanoyloxy)-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-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (1S)-2-hydroxy-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-pentadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
1-Pentadecanoyl-2-a-linolenoyl-sn-glycerol
1-Pentadecanoyl-2-α-linolenoyl-sn-glycerol
DAG(15:0/18:3)
DAG(15:0/18:3n3)
More...

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: 639.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 181.7±22.2 °C
Index of Refraction: 1.484
Molar Refractivity: 174.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 13.16
ACD/LogD (pH 5.5): 11.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 608.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement