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Search term: 113379353 (Found by CSID)
ChemSpider 2D Image | (2R)-1-(Octadecyloxy)-3-(phosphonooxy)-2-propanyl (13Z,16Z)-13,16-docosadienoate | C43H83O7P

(2R)-1-(Octadecyloxy)-3-(phosphonooxy)-2-propanyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC43H83O7P
  • Average mass743.089 Da
  • Monoisotopic mass742.587646 Da
  • ChemSpider ID113379353

  • 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)-13,16-Docosadiénoate de (2R)-1-(octadécyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-(Octadecyloxy)-3-(phosphonooxy)-2-propanyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(2R)-1-(Octadecyloxy)-3-(phosphonooxy)-2-propanyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (1R)-2-(octadecyloxy)-1-[(phosphonooxy)methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
1-octadecyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate
PA(O-18:0/22:2(13Z,16Z))
PA(O-18:0/22:2)
PA(O-40:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 767.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.6±6.0 kJ/mol
Flash Point: 418.2±35.7 °C
Index of Refraction: 1.481
Molar Refractivity: 216.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 17.39
ACD/LogD (pH 5.5): 11.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1726941.00
ACD/LogD (pH 7.4): 10.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 202209.42
Polar Surface Area: 112 Å2
Polarizability: 85.8±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 761.3±3.0 cm3

Click to predict properties on the Chemicalize site


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