Found 28 results

Search term: MF = 'C_{45}H_{79}O_{11}P'
ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyl docosanoate | C45H79O11P

(2R)-3-(Phosphonooxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyl docosanoate

  • Molecular FormulaC45H79O11P
  • Average mass827.076 Da
  • Monoisotopic mass826.536011 Da
  • ChemSpider ID117221228

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-(Phosphonooxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyl docosanoate [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-3-(phosphonooxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2R)-3-(phosphonooxy)-2-[[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-1-oxo-7,9,11,13,17-eicosapentaen-1-yl]oxy]propyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 885.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.1±6.0 kJ/mol
Flash Point: 489.1±37.1 °C
Index of Refraction: 1.514
Molar Refractivity: 230.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 4
ACD/LogP: 11.52
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 8738.40
ACD/KOC (pH 5.5): 2545.07
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 1028.27
ACD/KOC (pH 7.4): 299.48
Polar Surface Area: 190 Å2
Polarizability: 91.4±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 765.9±3.0 cm3

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