ChemSpider 2D Image | (15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacos-15-en-19-yl (11E,14E)-11,14-icosadienoate | C41H78NO7P

(15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (11E,14E)-11,14-icosadienoate

  • Molecular FormulaC41H78NO7P
  • Average mass728.034 Da
  • Monoisotopic mass727.551575 Da
  • ChemSpider ID59699729

  • 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

(11E,14E)-11,14-Icosadiénoate de (15E,19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacos-15-én-19-yle [French] [ACD/IUPAC Name]
(15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (11E,14E)-11,14-icosadienoate [ACD/IUPAC Name]
(15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl-(11E,14E)-11,14-icosadienoat [German] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1E)-1-hexadecen-1-yloxy]methyl]ethyl ester, (11E,14E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(hexadec-1-en-1-yloxy)-2-(icosa-11,14-dienoyloxy)propoxy]phosphinic acid
PE(P-16:0/20:2(11Z,14Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 750.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 407.4±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: 15.37
ACD/LogD (pH 5.5): 10.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1003633.13
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 810158.19
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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