ChemSpider 2D Image | (15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22lambda~5~-phosphapentacos-15-en-19-yl (6E,9E,12E)-6,9,12-octadecatrienoate | C39H72NO7P

(15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (6E,9E,12E)-6,9,12-octadecatrienoate

  • Molecular FormulaC39H72NO7P
  • Average mass697.965 Da
  • Monoisotopic mass697.504639 Da
  • ChemSpider ID59699724

  • 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

(15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl (6E,9E,12E)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(15E,19R)-25-Amino-22-hydroxy-22-oxido-17,21,23-trioxa-22λ5-phosphapentacos-15-en-19-yl-(6E,9E,12E)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6E,9E,12E)-6,9,12-Octadécatriénoate de (15E,19R)-25-amino-22-hydroxy-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacos-15-én-19-yle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1E)-1-hexadecen-1-yloxy]methyl]ethyl ester, (6E,9E,12E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(hexadec-1-en-1-yloxy)-2-(octadeca-6,9,12-trienoyloxy)propoxy]phosphinic acid
PE(P-16:0/18:3(6Z,9Z,12Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 731.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 396.0±35.7 °C
Index of Refraction: 1.493
Molar Refractivity: 201.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 13.69
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 747668.69
ACD/KOC (pH 5.5): 108408.96
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 603526.56
ACD/KOC (pH 7.4): 87508.93
Polar Surface Area: 127 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 695.0±3.0 cm3

Click to predict properties on the Chemicalize site


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