ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (15Z)-15-tetracosenoate | C29H58NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (15Z)-15-tetracosenoate

  • Molecular FormulaC29H58NO7P
  • Average mass563.747 Da
  • Monoisotopic mass563.395081 Da
  • ChemSpider ID24769405

  • 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

(15Z)-15-Tétracosénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (15Z)- [ACD/Index Name]
(15Z-tetracosanoyl)-lysophosphatidylethanolamine
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(15Z)-TETRACOS-15-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
1-(15Z-tetracosenoyl)-sn-glycero-3-phosphoethanolamine
1-Nervonoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-2-HYDROXY-3-[(15Z)-TETRACOS-15-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-2-hydroxy-3-[(15Z)-tetracos-15-enoyloxy]propoxyphosphinic acid
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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: 657.7±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: 351.5±34.3 °C
Index of Refraction: 1.486
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 772.99
ACD/KOC (pH 5.5): 790.79
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 626.59
ACD/KOC (pH 7.4): 641.01
Polar Surface Area: 138 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 540.3±3.0 cm3

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