ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl tetracosanoate | C47H88NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl tetracosanoate

  • Molecular FormulaC47H88NO8P
  • Average mass826.177 Da
  • Monoisotopic mass825.624756 Da
  • ChemSpider ID24769164

  • 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)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl tetracosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-3-(tetracosanoyloxy)propoxy]phosphinic acid
1-24:0-2-18:3-phosphatidylethanolamine
1-Lignoceroyl-2-a-linolenoyl-sn-glycero-3-phosphoethanolamine
1-Lignoceroyl-2-α-linolenoyl-sn-glycero-3-phosphoethanolamine
1-tetracosanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
24:0-18:3-PE
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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: 1.0±0.1 g/cm3
Boiling Point: 811.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 444.4±37.1 °C
Index of Refraction: 1.487
Molar Refractivity: 238.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 17.30
ACD/LogD (pH 5.5): 11.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3407623.75
ACD/LogD (pH 7.4): 11.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2745298.50
Polar Surface Area: 144 Å2
Polarizability: 94.7±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 830.6±3.0 cm3

Click to predict properties on the Chemicalize site


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