Found 1 result

Search term: 113377448 (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 (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C50H89O10P

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

  • Molecular FormulaC50H89O10P
  • Average mass881.209 Da
  • Monoisotopic mass880.619324 Da
  • ChemSpider ID113377448

  • 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 (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(11Z,25R,31S)-28,31,32-Trihydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphadotriacont-11-en-25-yl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate 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]
7,10,13,16-Docosatetraenoic acid, (1R)-2-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-docosen-1-yl]oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
1-(11Z-docosenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))
PG(22:1_22:4)
PG(44:5)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 861.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.2±6.0 kJ/mol
Flash Point: 474.6±37.1 °C
Index of Refraction: 1.499
Molar Refractivity: 252.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 3
ACD/LogP: 16.49
ACD/LogD (pH 5.5): 10.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 346253.66
ACD/LogD (pH 7.4): 10.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 292843.25
Polar Surface Area: 159 Å2
Polarizability: 100.1±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 859.1±3.0 cm3

Click to predict properties on the Chemicalize site


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