ChemSpider 2D Image | 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate | C37H69O8P

1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate

  • Molecular FormulaC37H69O8P
  • Average mass672.913 Da
  • Monoisotopic mass672.473022 Da
  • ChemSpider ID7826110

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(2R)-1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (2R)-1-(palmitoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate
9,12-Octadecadienoic acid, (1R)-2-[(1-oxohexadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
(2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphonic acid
[(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphonic acid
1-16:0-2-18:2-phosphatidic acid
16:0-18:2-PA
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP10010023 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-<ital>sn</ital>-glycerol 3-phosphate in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9<stereo>Z</stereo>,12<stereo>Z</stereo>-octadecadienoyl (linoleoyl) r espectively. ChEBI CHEBI:73259
      A 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) r; espectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73259
      A 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively. ChEBI CHEBI:73259

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

Density: 1.0±0.1 g/cm3
Boiling Point: 724.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 392.2±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 188.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 13.70
ACD/LogD (pH 5.5): 8.79
ACD/BCF (pH 5.5): 435433.41
ACD/KOC (pH 5.5): 41766.37
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 51233.24
ACD/KOC (pH 7.4): 4914.25
Polar Surface Area: 129 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 659.4±3.0 cm3

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