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Search term: 113380997 (Found by CSID)
ChemSpider 2D Image | (2R)-2-{[(5E)-4,7-Dioxo-5-heptenoyl]oxy}-3-(phosphonooxy)propyl palmitate | C26H45O10P

(2R)-2-{[(5E)-4,7-Dioxo-5-heptenoyl]oxy}-3-(phosphonooxy)propyl palmitate

  • Molecular FormulaC26H45O10P
  • Average mass548.603 Da
  • Monoisotopic mass548.275024 Da
  • ChemSpider ID113380997

  • 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

(2R)-2-{[(5E)-4,7-Dioxo-5-heptenoyl]oxy}-3-(phosphonooxy)propyl palmitate [ACD/IUPAC Name]
(2R)-2-{[(5E)-4,7-Dioxo-5-heptenoyl]oxy}-3-(phosphonooxy)propylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (2R)-3-(phosphonooxy)-2-[[(5E)-1,4,7-trioxo-5-hepten-1-yl]oxy]propyl ester [ACD/Index Name]
Palmitate de (2R)-2-{[(5E)-4,7-dioxo-5-heptenoyl]oxy}-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-(4,7-dioxo-5E-heptenoyl)-sn-glycero-3-phosphate
1-palmitoyl-2-(4,7-dioxo-5E-heptenoyl)-sn-glycero-3-phosphate
PKOHA-PA

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

Density: 1.1±0.1 g/cm3
Boiling Point: 694.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 374.0±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 138.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 5.48
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 478.6±3.0 cm3

Click to predict properties on the Chemicalize site


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