ChemSpider 2D Image | (25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28lambda~5~-phosphahentriacontan-25-yl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C49H90NO8P

(25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacontan-25-yl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC49H90NO8P
  • Average mass852.215 Da
  • Monoisotopic mass851.640381 Da
  • ChemSpider ID24768949

  • 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

(25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacontan-25-yl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(25R)-31-Amino-28-hydroxy-28-oxido-22-oxo-23,27,29-trioxa-28λ5-phosphahentriacontan-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 (25R)-31-amino-28-hydroxy-22-oxo-28-oxydo-23,27,29-trioxa-28λ5-phosphahéntriacontan-25-yle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxodocosyl)oxy]methyl]ethyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(docosanoyloxy)propoxy]phosphinic acid
1-Behenoyl-2-adrenoyl-sn-glycero-3-phosphoethanolamine
1-docosanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(docosanoyloxy)propoxyphosphinic acid
GPEtn(22:0/22:4)
GPEtn(22:0/22:4n6)
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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): 12.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9902116.00
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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