ChemSpider 2D Image | (2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (11Z)-11-octadecenoate | C23H46NO7P

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (11Z)-11-octadecenoate

  • Molecular FormulaC23H46NO7P
  • Average mass479.588 Da
  • Monoisotopic mass479.301178 Da
  • ChemSpider ID24769356

  • 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

(11Z)-11-Octadécénoate de (2R)-1-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester, (11Z)- [ACD/Index Name]
(11Z-octadecenoyl)-lysophosphatidylethanolamine
(2-AMINOETHOXY)[(2R)-3-HYDROXY-2-[(11Z)-OCTADEC-11-ENOYLOXY]PROPOXY]PHOSPHINIC ACID
1-Hydroxy-2-vaccenoyl-sn-glycero-3-phosphoethanolamine
2-(11Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-3-HYDROXY-2-[(11Z)-OCTADEC-11-ENOYLOXY]PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-3-hydroxy-2-[(11Z)-octadec-11-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: 1.1±0.1 g/cm3
Boiling Point: 597.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 315.1±32.9 °C
Index of Refraction: 1.489
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 9.30
ACD/KOC (pH 5.5): 33.42
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 7.51
ACD/KOC (pH 7.4): 26.99
Polar Surface Area: 138 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 441.2±3.0 cm3

Click to predict properties on the Chemicalize site


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