Found 1 result

Search term: 113377449 (Found by CSID)
ChemSpider 2D Image | (11Z,25R,31S)-28,31,32-Trihydroxy-28-oxido-22-oxo-23,27,29-trioxa-28lambda~5~-phosphadotriacont-11-en-25-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C50H85O10P

(11Z,25R,31S)-28,31,32-Trihydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphadotriacont-11-en-25-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC50H85O10P
  • Average mass877.178 Da
  • Monoisotopic mass876.588013 Da
  • ChemSpider ID113377449

  • 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

(11Z,25R,31S)-28,31,32-Trihydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphadotriacont-11-en-25-yl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(11Z,25R,31S)-28,31,32-Trihydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphadotriacont-11-en-25-yl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (11Z,25R,31S)-28,31,32-trihydroxy-22-oxo-28-oxydo-23,27,29-trioxa-28λ5-phosphadotriacont-11-én-25-yle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-docosen-1-yl]oxy]methyl]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
1-(11Z-docosenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(22:1_22:6)
PG(44:7)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 860.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.1±6.0 kJ/mol
Flash Point: 474.2±37.1 °C
Index of Refraction: 1.509
Molar Refractivity: 252.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 3
ACD/LogP: 15.32
ACD/LogD (pH 5.5): 9.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 77501.97
ACD/LogD (pH 7.4): 9.26
ACD/BCF (pH 7.4): 921892.31
ACD/KOC (pH 7.4): 65559.64
Polar Surface Area: 159 Å2
Polarizability: 100.1±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 846.3±3.0 cm3

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