Found 31 results

Search term: MF = 'C_{41}H_{78}NO_{7}P'
ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl (9E)-9-octadecenoate | C41H78NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl (9E)-9-octadecenoate

  • Molecular FormulaC41H78NO7P
  • Average mass728.034 Da
  • Monoisotopic mass727.551575 Da
  • ChemSpider ID59698673

  • 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-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl (9E)-9-octadecenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
(9E)-9-Octadécénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,9E)-1,9-octadécadién-1-yloxy]propyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1E,9E)-1,9-octadecadien-1-yloxy]propyl ester, (9E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(octadec-9-enoyloxy)-2-(octadeca-1,9-dien-1-yloxy)propoxy]phosphinic acid
PE(18:1(9Z)/P-18:1(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: 753.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 119.5±6.0 kJ/mol
Flash Point: 409.5±35.7 °C
Index of Refraction: 1.487
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 15.31
ACD/LogD (pH 5.5): 10.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 704266.19
ACD/LogD (pH 7.4): 10.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 570206.88
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 734.4±3.0 cm3

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