ChemSpider 2D Image | (2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate | C36H68O5

(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl (9Z)-9-octadecenoate

  • Molecular FormulaC36H68O5
  • Average mass580.922 Da
  • Monoisotopic mass580.506653 Da
  • ChemSpider ID24765906
  • 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)-9-octadecenoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(pentadecanoyloxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2S)-1-hydroxy-3-(pentadecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1S)-2-hydroxy-1-[[(1-oxopentadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2S)-1-hydroxy-3-(pentadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
1-Pentadecanoyl-2-oleoyl-sn-glycerol
DAG(15:0/18:1)
DAG(15:0/18:1n9)
DAG(15:0/18:1w9)
DAG(33:1)
More...

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 637.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 179.6±16.7 °C
Index of Refraction: 1.472
Molar Refractivity: 173.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.36
ACD/LogD (pH 5.5): 13.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.41
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: 35.4±3.0 dyne/cm
Molar Volume: 621.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement