ChemSpider 2D Image | (2S)-1-Hydroxy-3-(tridecanoyloxy)-2-propanyl (9Z,12Z)-9,12-heptadecadienoate | C33H60O5

(2S)-1-Hydroxy-3-(tridecanoyloxy)-2-propanyl (9Z,12Z)-9,12-heptadecadienoate

  • Molecular FormulaC33H60O5
  • Average mass536.826 Da
  • Monoisotopic mass536.444092 Da
  • ChemSpider ID113371343

  • 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-(tridecanoyloxy)-2-propanyl (9Z,12Z)-9,12-heptadecadienoate [ACD/IUPAC Name]
(2S)-1-Hydroxy-3-(tridecanoyloxy)-2-propanyl-(9Z,12Z)-9,12-heptadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Heptadécadiénoate de (2S)-1-hydroxy-3-(tridecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
9,12-Heptadecadienoic acid, (1S)-2-hydroxy-1-[[(1-oxotridecyl)oxy]methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
1-tridecanoyl-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol
DG(13:0/17:2(9Z,12Z)/0:0)[iso2]
DG(13:0_17:2)
DG(30:2)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 608.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 175.7±19.4 °C
Index of Refraction: 1.478
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 12.24
ACD/LogD (pH 5.5): 10.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 565.3±3.0 cm3

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