ChemSpider 2D Image | 1-MYRISTOYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE | C41H70NO8P

1-MYRISTOYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

  • Molecular FormulaC41H70NO8P
  • Average mass735.970 Da
  • Monoisotopic mass735.483887 Da
  • ChemSpider ID24769123

  • 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-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
1-MYRISTOYL-2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
4,7,10,13,16,19-Docosahexaenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(tetradecanoyloxy)propoxy]phosphinic acid
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-tetradecanoyl-glycero-3-phosphoethanolamine
1-Docosahexaenoyl-2-myristoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(tetradecanoyloxy)propoxyphosphinic acid
GPEtn(22:6/14:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

R0I8YU30X9 [DBID]
UNII:R0I8YU30X9 [DBID]
UNII-R0I8YU30X9 [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: 757.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 412.0±35.7 °C
Index of Refraction: 1.505
Molar Refractivity: 211.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 12.27
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 150114.31
ACD/KOC (pH 5.5): 34351.86
ACD/LogD (pH 7.4): 7.81
ACD/BCF (pH 7.4): 120931.93
ACD/KOC (pH 7.4): 27673.82
Polar Surface Area: 144 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 712.4±3.0 cm3

Click to predict properties on the Chemicalize site


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