Found 1 result

Search term: 117223772 (Found by CSID)
ChemSpider 2D Image | (21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoate | C44H79O12P

(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl (5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoate

  • Molecular FormulaC44H79O12P
  • Average mass831.065 Da
  • Monoisotopic mass830.530884 Da
  • ChemSpider ID117223772

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 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 (5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoate [ACD/IUPAC Name]
(21R,27S)-24,27,28-Trihydroxy-24-oxido-18-oxo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yl-(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5R,6Z,8E,10E,12S,14Z)-5,12-Dihydroxy-6,8,10,14-icosatétraénoate de (21R,27S)-24,27,28-trihydroxy-18-oxo-24-oxydo-19,23,25-trioxa-24λ5-phosphaoctacosan-21-yle [French] [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (5R,6Z,8E,10E,12S,14Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 872.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.1±6.0 kJ/mol
Flash Point: 481.5±37.1 °C
Index of Refraction: 1.509
Molar Refractivity: 227.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 10.99
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 3600.51
ACD/KOC (pH 5.5): 1298.53
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 3045.57
ACD/KOC (pH 7.4): 1098.39
Polar Surface Area: 199 Å2
Polarizability: 90.2±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 762.2±3.0 cm3

Click to predict properties on the Chemicalize site


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