Found 29 results

Search term: C44H82NO10P (Found by molecular formula)
ChemSpider 2D Image | O-[{(2R)-2-(Henicosanoyloxy)-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C44H82NO10P

O-[{(2R)-2-(Henicosanoyloxy)-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC44H82NO10P
  • Average mass816.096 Da
  • Monoisotopic mass815.567627 Da
  • ChemSpider ID113376259

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Heneicosanoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z,12Z)-1-oxo-9,12-heptadecadien-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
O-[{(2R)-2-(Henicosanoyloxy)-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-(Henicosanoyloxy)-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-(Henicosanoyloxy)-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
1-(9Z,12Z-heptadecadienoyl)-2-heneicosanoyl-glycero-3-phosphoserine
PS(17:2(9Z,12Z)/21:0)
PS(17:2_21:0)
PS(38:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 832.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.4±6.0 kJ/mol
Flash Point: 457.2±37.1 °C
Index of Refraction: 1.491
Molar Refractivity: 226.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 16.16
ACD/LogD (pH 5.5): 9.27
ACD/BCF (pH 5.5): 944278.38
ACD/KOC (pH 5.5): 66613.19
ACD/LogD (pH 7.4): 9.16
ACD/BCF (pH 7.4): 739978.00
ACD/KOC (pH 7.4): 52201.02
Polar Surface Area: 181 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 782.5±3.0 cm3

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