ChemSpider 2D Image | (2S)-3-Hydroxy-1,2-propanediyl (13Z,16Z,13'Z,16'Z)bis(-13,16-docosadienoate) | C47H84O5

(2S)-3-Hydroxy-1,2-propanediyl (13Z,16Z,13'Z,16'Z)bis(-13,16-docosadienoate)

  • Molecular FormulaC47H84O5
  • Average mass729.167 Da
  • Monoisotopic mass728.631897 Da
  • ChemSpider ID7822906

  • 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,16Z,13'Z,16'Z)Bis(-13,16-docosadiénoate) de (2S)-3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propandiyl-(13Z,16Z,13'Z,16'Z)bis(-13,16-docosadienoat) [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-1,2-propanediyl (13Z,16Z,13'Z,16'Z)bis(-13,16-docosadienoate) [ACD/IUPAC Name]
13,16-Docosadienoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester, (13Z,16Z,13'Z,16'Z)- [ACD/Index Name]
(2S)-1-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-hydroxypropan-2-yl (13Z,16Z)-docosa-13,16-dienoate
1,2-di-(13Z,16Z-docosadienoyl)-sn-glycerol
1,2-Didocosadienoyl-rac-glycerol
DAG(22:2/22:2)
DAG(22:2n6/22:2n6)
DAG(22:2w6/22:2w6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGL02010291 [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: 741.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 197.5±19.4 °C
Index of Refraction: 1.486
Molar Refractivity: 225.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 18.65
ACD/LogD (pH 5.5): 15.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 783.7±3.0 cm3

Click to predict properties on the Chemicalize site


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