ChemSpider 2D Image | (21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate | C44H79O10P

(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC44H79O10P
  • Average mass799.066 Da
  • Monoisotopic mass798.541077 Da
  • ChemSpider ID59699514

  • 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,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl-(5E,8E,11E,14E)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5E,8E,11E,14E)-5,8,11,14-Icosatétraénoate de (21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (5E,8E,11E,14E)- [ACD/Index Name]
[(2S)-2,3-dihydroxypropoxy][(2R)-2-(icosa-5,8,11,14-tetraenoyloxy)-3-(octadecanoyloxy)propoxy]phosphinic acid
PG(18:0/20:4(5Z,8Z,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: 812.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.4±6.0 kJ/mol
Flash Point: 445.0±37.1 °C
Index of Refraction: 1.498
Molar Refractivity: 224.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 13.94
ACD/LogD (pH 5.5): 8.58
ACD/BCF (pH 5.5): 294361.25
ACD/KOC (pH 5.5): 30368.23
ACD/LogD (pH 7.4): 8.51
ACD/BCF (pH 7.4): 248972.05
ACD/KOC (pH 7.4): 25685.58
Polar Surface Area: 159 Å2
Polarizability: 89.0±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 766.4±3.0 cm3

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