ChemSpider 2D Image | (2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-tetracosahexaenoate | C29H48NO7P

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-tetracosahexaenoate

  • Molecular FormulaC29H48NO7P
  • Average mass553.668 Da
  • Monoisotopic mass553.316833 Da
  • ChemSpider ID24769380
  • 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 (6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-tetracosahexaenoate [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl-(6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-tetracosahexaenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z,18Z,21Z)-6,9,12,15,18,21-Tétracosahexaénoate de (2R)-1-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
6,9,12,15,18,21-Tetracosahexaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester, (6Z,9Z,12Z,15Z,18Z,21Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-hydroxy-2-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyloxy]propoxy]phosphinic acid
2-(6Z,9Z,12Z,15Z,18Z,21Z-docosapentaenoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-hydroxy-2-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyloxy]propoxyphosphinic acid
LPE(24:6)
LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))
PE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))

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: 657.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±6.0 kJ/mol
Flash Point: 351.3±34.3 °C
Index of Refraction: 1.524
Molar Refractivity: 155.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 6.45
ACD/KOC (pH 5.5): 25.71
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 5.21
ACD/KOC (pH 7.4): 20.76
Polar Surface Area: 138 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 508.3±3.0 cm3

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