ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-tetradecenoyloxy]propyl (9E,12E)-9,12-octadecadienoate | C37H68NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-tetradecenoyloxy]propyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC37H68NO8P
  • Average mass685.911 Da
  • Monoisotopic mass685.468262 Da
  • ChemSpider ID59698675

  • 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-[(9E)-9-tetradecenoyloxy]propyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-tetradecenoyloxy]propyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9E,12E)-9,12-Octadécadiénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9E)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9E)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (9E,12E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(octadeca-9,12-dienoyloxy)-2-(tetradec-9-enoyloxy)propoxy]phosphinic acid
PE(18:2(9Z,12Z)/14:1(9Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 722.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 390.6±35.7 °C
Index of Refraction: 1.490
Molar Refractivity: 192.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 12.15
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 14394.91
ACD/KOC (pH 5.5): 6413.93
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 11597.03
ACD/KOC (pH 7.4): 5167.28
Polar Surface Area: 144 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 665.5±3.0 cm3

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