ChemSpider 2D Image | (21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C43H78NO7P

(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC43H78NO7P
  • Average mass752.056 Da
  • Monoisotopic mass751.551575 Da
  • ChemSpider ID7825998

  • 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

(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(21R)-27-Amino-24-hydroxy-24-oxido-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (21R)-27-amino-24-hydroxy-24-oxydo-19,23,25-trioxa-24λ5-phosphaheptacosan-21-yle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[(octadecyloxy)methyl]ethyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
1-octadecyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phosphoethanolamine
5,8,11,14,17-Eicosapentaenoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-(octadecyloxy)ethyl ester, [R-(all-Z)]-
GPEtn(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PE(O-18:0/20:5)
PE(O-38:5)

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

LMGP02020008 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 764.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 416.3±35.7 °C
Index of Refraction: 1.496
Molar Refractivity: 220.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.44
ACD/LogD (pH 5.5): 9.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 284227.25
ACD/LogD (pH 7.4): 9.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 229506.77
Polar Surface Area: 127 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 754.7±3.0 cm3

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