ChemSpider 2D Image | (2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C27H48NO7P

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC27H48NO7P
  • Average mass529.646 Da
  • Monoisotopic mass529.316833 Da
  • ChemSpider ID24769374

  • 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-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (2R)-1-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-hydroxypropoxy]phosphinic acid
(7Z,10Z,13Z,16Z-docosatetraenoyl)-lysophosphatidylethanolamine
1-Hydroxy-2-adrenoyl-sn-glycero-3-phosphoethanolamine
2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-hydroxypropoxyphosphinic acid
LPE(0:0/22:4)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.1±0.1 g/cm3
Boiling Point: 637.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 339.5±34.3 °C
Index of Refraction: 1.510
Molar Refractivity: 146.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 15.23
ACD/KOC (pH 5.5): 47.58
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 12.30
ACD/KOC (pH 7.4): 38.42
Polar Surface Area: 138 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 488.1±3.0 cm3

Click to predict properties on the Chemicalize site


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