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Search term: IJTWJFQIBBDJJI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl tridecanoate | C18H38NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl tridecanoate

  • Molecular FormulaC18H38NO7P
  • Average mass411.471 Da
  • Monoisotopic mass411.238586 Da
  • ChemSpider ID24823077

  • 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-hydroxypropyl tridecanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl-tridecanoat [German] [ACD/IUPAC Name]
Tridécanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyle [French] [ACD/IUPAC Name]
Tridecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester [ACD/Index Name]
1223068-83-4 [RN]
13:0 Lyso PE
1-tridecanoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine
1-tridecanoyl-sn-glycero-3-phosphoethanolamine
LPE(13:0)
PE(13:0/0:0)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

110696 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 283.2±32.9 °C
Index of Refraction: 1.482
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.05
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.90
Polar Surface Area: 138 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 365.1±3.0 cm3

Click to predict properties on the Chemicalize site


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