ChemSpider 2D Image | (3Z,6Z,9Z,12Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26lambda~5~-phosphanonacosa-3,6,9,12-tetraen-23-yl tetracosanoate | C49H90NO8P

(3Z,6Z,9Z,12Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-3,6,9,12-tetraen-23-yl tetracosanoate

  • Molecular FormulaC49H90NO8P
  • Average mass852.215 Da
  • Monoisotopic mass851.640381 Da
  • ChemSpider ID24768893

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3Z,6Z,9Z,12Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-3,6,9,12-tetraen-23-yl tetracosanoate [ACD/IUPAC Name]
(3Z,6Z,9Z,12Z,23R)-29-Amino-26-hydroxy-26-oxido-20-oxo-21,25,27-trioxa-26λ5-phosphanonacosa-3,6,9,12-tetraen-23-yl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (3Z,6Z,9Z,12Z,23R)-29-amino-26-hydroxy-20-oxo-26-oxydo-21,25,27-trioxa-26λ5-phosphanonacosa-3,6,9,12-tétraén-23-yle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(8Z,11Z,14Z,17Z)-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(tetracosanoyloxy)propoxy]phosphinic acid
1-Eicsoate
1-Eicsoatetraenoyl-2-lignoceroyl-sn-glycero-3-phosphoethanolamine
1-Eicsoic acid
2-aminoethoxy(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(tetracosanoyloxy)propoxyphosphinic acid
GPEtn(20:4/24:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 827.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.7±6.0 kJ/mol
Flash Point: 454.4±37.1 °C
Index of Refraction: 1.491
Molar Refractivity: 248.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 17.68
ACD/LogD (pH 5.5): 11.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5710019.50
ACD/LogD (pH 7.4): 11.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4600187.50
Polar Surface Area: 144 Å2
Polarizability: 98.4±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 857.2±3.0 cm3

Click to predict properties on the Chemicalize site


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