Found 24 results

Search term: MF = 'C_{37}H_{67}O_{9}P'
ChemSpider 2D Image | (2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (10E,12Z)-9-oxo-10,12-octadecadienoate | C37H67O9P

(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (10E,12Z)-9-oxo-10,12-octadecadienoate

  • Molecular FormulaC37H67O9P
  • Average mass686.896 Da
  • Monoisotopic mass686.452271 Da
  • ChemSpider ID117219320

  • 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

(10E,12Z)-9-Oxo-10,12-octadécadiénoate de (2R)-1-(palmitoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (10E,12Z)-9-oxo-10,12-octadecadienoate [ACD/IUPAC Name]
(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl-(10E,12Z)-9-oxo-10,12-octadecadienoat [German] [ACD/IUPAC Name]
10,12-Octadecadienoic acid, 9-oxo-, (1R)-2-[(1-oxohexadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (10E,12Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 761.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 414.4±35.7 °C
Index of Refraction: 1.487
Molar Refractivity: 188.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 11.37
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 21831.14
ACD/KOC (pH 5.5): 4902.42
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 2568.68
ACD/KOC (pH 7.4): 576.83
Polar Surface Area: 146 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 656.5±3.0 cm3

Click to predict properties on the Chemicalize site


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