Found 6 results

Search term: MF = 'C_{44}H_{82}NO_{9}P'
ChemSpider 2D Image | O-(Hydroxy{(2R)-3-(icosyloxy)-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-serine | C44H82NO9P

O-(Hydroxy{(2R)-3-(icosyloxy)-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-serine

  • Molecular FormulaC44H82NO9P
  • Average mass800.097 Da
  • Monoisotopic mass799.572693 Da
  • ChemSpider ID113376620

  • 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

6,9,12-Octadecatrienoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[(eicosyloxy)methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
O-(Hydroxy{(2R)-3-(icosyloxy)-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-serin [German] [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-(icosyloxy)-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-serine [ACD/IUPAC Name]
O-(Hydroxy{(2R)-3-(icosyloxy)-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propoxy}phosphoryl)-L-sérine [French] [ACD/IUPAC Name]
1-eicosyl-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoserine
PS(O-20:0/18:3(6Z,9Z,12Z))
PS(O-20:0/18:3)
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: 16.05
ACD/LogD (pH 5.5): 9.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 120430.94
ACD/LogD (pH 7.4): 9.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 94649.97
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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