ChemSpider 2D Image | (21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (13Z,16Z)-13,16-docosadienoate | C45H86NO8P

(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC45H86NO8P
  • Average mass800.140 Da
  • Monoisotopic mass799.609131 Da
  • ChemSpider ID24768483

  • 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

(13Z,16Z)-13,16-Docosadiénoate de (21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yle [French] [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid
1-octadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoethanolamine
1-Stearoyl-2-docosadienoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(octadecanoyloxy)propoxyphosphinic acid
GPEtn(18:0/22:2)
GPEtn(18:0/22:2n6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 794.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.6±6.0 kJ/mol
Flash Point: 434.3±35.7 °C
Index of Refraction: 1.483
Molar Refractivity: 229.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.92
ACD/LogD (pH 5.5): 11.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5327078.00
ACD/LogD (pH 7.4): 11.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4291681.50
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 804.0±3.0 cm3

Click to predict properties on the Chemicalize site


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