ChemSpider 2D Image | 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) | C42H81O10P

1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

  • Molecular FormulaC42H81O10P
  • Average mass777.060 Da
  • Monoisotopic mass776.556763 Da
  • ChemSpider ID24768103

  • 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

(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yle [French] [ACD/IUPAC Name]
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
9-Octadecenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(21R,27S)-24,27,28-trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ(5)-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate
(2S)-2,3-dihydroxypropoxy(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxyphosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid
1-Octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-glycerol)
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
More...

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

  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-<ital>sn</ital>-glycero-3-phospho-(1'-<ital>sn</ital>-glycerol) in which the 1- and 2-acyl groups are specified as octadecanoyl (stearoyl) and 9<stereo>Z</stereo>-octadecenoyl (oleoyl) re spectively. ChEBI CHEBI:73242
      A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1- and 2-acyl groups are specified as octadecanoyl (stearoyl) and 9Z-octadecenoyl (oleoyl) re; spectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73242
      A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1- and 2-acyl groups are specified as octadecanoyl (stearoyl) and 9Z-octadecenoyl (oleoyl) respectively. ChEBI CHEBI:73242

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

Density: 1.0±0.1 g/cm3
Boiling Point: 796.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 435.3±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 215.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.64
ACD/LogD (pH 5.5): 9.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 90099.80
ACD/LogD (pH 7.4): 9.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 76200.78
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 752.5±3.0 cm3

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