ChemSpider 2D Image | 1-palmitoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoethanolamine | C43H78NO8P

1-palmitoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC43H78NO8P
  • Average mass768.055 Da
  • Monoisotopic mass767.546509 Da
  • ChemSpider ID7825767

  • 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

(19R)-25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(19R)-25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (19R)-25-amino-22-hydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
1-palmitoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoethanolamine
7,10,13,16-Docosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(19R)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ(5)-phosphapentacosan-19-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
(2-aminoethoxy)[(2R)-2-(docosa-7,10,13,16-tetraenoyloxy)-3-(hexadecanoyloxy)propoxy]phosphinic acid
(2-aminoethoxy)[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid
1-hexadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoethanolamine
1-Palmitoyl-2-adrenoyl-sn-glycero-3-phosphoethanolamine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP02010116 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-<ital>sn</ital>-glycero-3-phosphoethanolamine in which the acyl groups specified at position 1 and 2 are palmitoyl and (7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<st ereo>Z</stereo>)-docosatetraenoyl respectively. ChEBI CHEBI:84549
      A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups specified at position 1 and 2 are palmitoyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84549, CHEBI:84549

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

Density: 1.0±0.1 g/cm3
Boiling Point: 776.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 423.2±35.7 °C
Index of Refraction: 1.493
Molar Refractivity: 220.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.50
ACD/LogD (pH 5.5): 9.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 333460.66
ACD/LogD (pH 7.4): 9.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 268646.16
Polar Surface Area: 144 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 758.2±3.0 cm3

Click to predict properties on the Chemicalize site


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