ChemSpider 2D Image | (9Z,25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28lambda~5~-phosphahentriacont-9-en-25-yl tetracosanoate | C51H100NO8P

(9Z,25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacont-9-en-25-yl tetracosanoate

  • Molecular FormulaC51H100NO8P
  • Average mass886.315 Da
  • Monoisotopic mass885.718628 Da
  • ChemSpider ID24768985

  • 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

(9Z,25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacont-9-en-25-yl tetracosanoate [ACD/IUPAC Name]
(9Z,25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacont-9-en-25-yl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (9Z,25R)-31-amino-28-hydroxy-22-oxo-28-oxydo-23,27,29-trioxa-28λ5-phosphahéntriacont-9-én-25-yle [French] [ACD/IUPAC Name]
Tetracosanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(13Z)-1-oxo-13-docosen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
(2-AMINOETHOXY)[(2R)-3-[(13Z)-DOCOS-13-ENOYLOXY]-2-(TETRACOSANOYLOXY)PROPOXY]PHOSPHINIC ACID
1-Erucoyl-2-lignoceroyl-sn-glycero-3-phosphoethanolamine
2-AMINOETHOXY((2R)-3-[(13Z)-DOCOS-13-ENOYLOXY]-2-(TETRACOSANOYLOXY)PROPOXY)PHOSPHINIC ACID
2-aminoethoxy(2R)-3-[(13Z)-docos-13-enoyloxy]-2-(tetracosanoyloxy)propoxyphosphinic acid
GPEtn(22:1/24:0)
GPEtn(22:1n9/24:0)
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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: 845.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 133.4±6.0 kJ/mol
Flash Point: 465.3±37.1 °C
Index of Refraction: 1.478
Molar Refractivity: 257.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 20.63
ACD/LogD (pH 5.5): 14.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 102.0±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 909.4±3.0 cm3

Click to predict properties on the Chemicalize site


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