ChemSpider 2D Image | 1-palmitoleoyl-2-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol) | C40H77O10P

1-palmitoleoyl-2-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

  • Molecular FormulaC40H77O10P
  • Average mass749.007 Da
  • Monoisotopic mass748.525452 Da
  • ChemSpider ID24768086

  • 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

(7Z,19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacos-7-en-19-yl stearate [ACD/IUPAC Name]
(7Z,19R,25S)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacos-7-en-19-ylstearat [German] [ACD/IUPAC Name]
1-palmitoleoyl-2-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
Octadecanoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de (7Z,19R,25S)-22,25,26-trihydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacos-7-én-19-yle [French] [ACD/IUPAC Name]
(2S)-2,3-dihydroxypropoxy(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecanoyloxy)propoxyphosphinic acid
(7Z,19R,25S)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22λ(5)-phosphahexacos-7-en-19-yl octadecanoate
[(2S)-2,3-dihydroxypropoxy][(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(octadecanoyloxy)propoxy]phosphinic acid
1-(9Z-hexadecenoyl)-2-octadecanoyl-glycero-3-phospho-(1'-sn-glycerol)
1-(9Z-Hexadecenoyl)-2-octadecanoyl-sn-glycero-3-phospho-(1'-glycerol)
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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 (9<stereo>Z</stereo>)-hexadec-9-enoyl (pamitoleoyl) and octadecanoyl (st earoyl) respectively. ChEBI CHEBI:85186
      A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1- and 2-acyl groups are specified as (9Z)-hexadec-9-enoyl (pamitoleoyl) and octadecanoyl (st; earoyl) respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85186
      A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1- and 2-acyl groups are specified as (9Z)-hexadec-9-enoyl (pamitoleoyl) and octadecanoyl (stearoyl) respectively. ChEBI CHEBI:85186

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

Density: 1.0±0.1 g/cm3
Boiling Point: 778.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 424.9±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 205.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.57
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 214485.30
ACD/KOC (pH 5.5): 24211.42
ACD/LogD (pH 7.4): 8.33
ACD/BCF (pH 7.4): 181398.27
ACD/KOC (pH 7.4): 20476.51
Polar Surface Area: 159 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 719.5±3.0 cm3

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