ChemSpider 2D Image | (6E,9E,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosa-6,9-dien-21-yl (6E,9E,12E,15E)-6,9,12,15-octadecatetraenoate | C41H70NO8P

(6E,9E,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9-dien-21-yl (6E,9E,12E,15E)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC41H70NO8P
  • Average mass735.970 Da
  • Monoisotopic mass735.483887 Da
  • ChemSpider ID59698685

  • 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

(6E,9E,12E,15E)-6,9,12,15-Octadécatétraénoate de (6E,9E,21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9-dién-21-yle [French] [ACD/IUPAC Name]
(6E,9E,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9-dien-21-yl (6E,9E,12E,15E)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(6E,9E,21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosa-6,9-dien-21-yl-(6E,9E,12E,15E)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(9E,12E)-1-oxo-9,12-octadecadien-1-yl]oxy]methyl]ethyl ester, (6E,9E,12E,15E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(octadeca-6,9,12,15-tetraenoyloxy)-3-(octadeca-9,12-dienoyloxy)propoxy]phosphinic acid
PE(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))

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: 12.47
ACD/LogD (pH 5.5): 6.81
ACD/BCF (pH 5.5): 21973.75
ACD/KOC (pH 5.5): 8681.83
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 17702.51
ACD/KOC (pH 7.4): 6994.26
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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