Found 6 results

Search term: MF = 'C_{44}H_{82}NO_{9}P'
ChemSpider 2D Image | O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-(octadecyloxy)propoxy]phosphoryl}-L-serine | C44H82NO9P

O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-(octadecyloxy)propoxy]phosphoryl}-L-serine

  • Molecular FormulaC44H82NO9P
  • Average mass800.097 Da
  • Monoisotopic mass799.572693 Da
  • ChemSpider ID113376602

  • 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

8,11,14-Eicosatrienoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[(octadecyloxy)methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-(octadecyloxy)propoxy]phosphoryl}-L-serin [German] [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-(octadecyloxy)propoxy]phosphoryl}-L-serine [ACD/IUPAC Name]
O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-(octadécyloxy)propoxy]phosphoryl}-L-sérine [French] [ACD/IUPAC Name]
1-octadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphoserine
PS(O-18:0/20:3(8Z,11Z,14Z))
PS(O-18:0/20:3)
PS(O-38:3)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 821.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 129.7±6.0 kJ/mol
Flash Point: 450.4±37.1 °C
Index of Refraction: 1.493
Molar Refractivity: 226.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 15.98
ACD/LogD (pH 5.5): 9.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 115504.45
ACD/LogD (pH 7.4): 9.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 90779.80
Polar Surface Area: 164 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 779.0±3.0 cm3

Click to predict properties on the Chemicalize site


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