ChemSpider 2D Image | (21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (5Z,8Z,10E,12S,14Z)-12-hydroxy-5,8,10,14-icosatetraenoate | C43H78NO9P

(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (5Z,8Z,10E,12S,14Z)-12-hydroxy-5,8,10,14-icosatetraenoate

  • Molecular FormulaC43H78NO9P
  • Average mass784.055 Da
  • Monoisotopic mass783.541443 Da
  • ChemSpider ID113380821

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (5Z,8Z,10E,12S,14Z)-12-hydroxy-5,8,10,14-icosatetraenoate [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl-(5Z,8Z,10E,12S,14Z)-12-hydroxy-5,8,10,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,10E,12S,14Z)-12-Hydroxy-5,8,10,14-icosatétraénoate de (21R)-27-amino-24-hydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yle [French] [ACD/IUPAC Name]
5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (5Z,8Z,10E,12S,14Z)- [ACD/Index Name]
18:0/12-HETE-PE
1-octadecanoyl-2-(12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
PE(18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))
PE(18:0_20:4(OH))
PE(38:4(OH))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 805.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.4±6.0 kJ/mol
Flash Point: 441.1±37.1 °C
Index of Refraction: 1.499
Molar Refractivity: 221.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.15
ACD/LogD (pH 5.5): 8.61
ACD/BCF (pH 5.5): 515152.72
ACD/KOC (pH 5.5): 83035.88
ACD/LogD (pH 7.4): 8.51
ACD/BCF (pH 7.4): 415005.56
ACD/KOC (pH 7.4): 66893.46
Polar Surface Area: 164 Å2
Polarizability: 88.0±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 756.1±3.0 cm3

Click to predict properties on the Chemicalize site


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