Found 1 result

Search term: 113376819 (Found by CSID)
ChemSpider 2D Image | (15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18lambda~5~-phosphadocosan-15-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C38H65O10P

(15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC38H65O10P
  • Average mass712.891 Da
  • Monoisotopic mass712.431519 Da
  • ChemSpider ID113376819

  • 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

(15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(15R,21S)-18,21,22-Trihydroxy-18-oxido-12-oxo-13,17,19-trioxa-18λ5-phosphadocosan-15-yl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (15R,21S)-18,21,22-trihydroxy-12-oxo-18-oxydo-13,17,19-trioxa-18λ5-phosphadocosan-15-yle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxododecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
1-dodecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
PG(12:0_20:5)
PG(32:5)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 760.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.4±6.0 kJ/mol
Flash Point: 413.8±35.7 °C
Index of Refraction: 1.507
Molar Refractivity: 196.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 10.07
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 1204.24
ACD/KOC (pH 5.5): 592.92
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 1018.55
ACD/KOC (pH 7.4): 501.49
Polar Surface Area: 159 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 661.0±3.0 cm3

Click to predict properties on the Chemicalize site


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