ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z)-7-octadecenoyloxy]propyl docosanoate | C45H88NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z)-7-octadecenoyloxy]propyl docosanoate

  • Molecular FormulaC45H88NO8P
  • Average mass802.156 Da
  • Monoisotopic mass801.624756 Da
  • ChemSpider ID7825805

  • 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-[(7Z)-7-octadecenoyloxy]propyl docosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z)-7-octadecenoyloxy]propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(7Z)-7-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(7Z)-1-oxo-7-octadecen-1-yl]oxy]propyl ester [ACD/Index Name]
1-docosanoyl-2-(7Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
Docosanoic acid, 3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxo-7-octadecenyl)oxy]propyl ester, [R-(Z)]-
GPEtn(22:0/18:1(7Z))
PE(18:1_22:0)
PE(22:0/18:1(7Z))
PE(22:0/18:1)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP02010156 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 795.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.7±6.0 kJ/mol
Flash Point: 434.6±35.7 °C
Index of Refraction: 1.478
Molar Refractivity: 229.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 17.44
ACD/LogD (pH 5.5): 12.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9227267.00
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 810.3±3.0 cm3

Click to predict properties on the Chemicalize site


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