Found 1 result

Search term: 113376083 (Found by CSID)
ChemSpider 2D Image | O-[{(2R)-3-(Dodecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C36H62NO10P

O-[{(2R)-3-(Dodecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC36H62NO10P
  • Average mass699.852 Da
  • Monoisotopic mass699.411133 Da
  • ChemSpider ID113376083

  • 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

6,9,12,15-Octadecatetraenoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
O-[{(2R)-3-(Dodecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-3-(Dodecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-3-(Dodecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
1-dodecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phosphoserine
PS(12:0/18:4(6Z,9Z,12Z,15Z))
PS(12:0_18:4)
PS(30:4)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 765.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 416.7±35.7 °C
Index of Refraction: 1.506
Molar Refractivity: 189.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 10.61
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 569.42
ACD/KOC (pH 5.5): 330.34
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 446.22
ACD/KOC (pH 7.4): 258.86
Polar Surface Area: 181 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 637.6±3.0 cm3

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