ChemSpider 2D Image | (9S)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphaheptacosan-9-yl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C43H78NO8P

(9S)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC43H78NO8P
  • Average mass768.055 Da
  • Monoisotopic mass767.546509 Da
  • ChemSpider ID7825967

  • 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

(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (9S)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yle [French] [ACD/IUPAC Name]
(9S)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(9S)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacosan-9-yl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1S)-2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine
5,8,11,14-Eicosatetraenoic acid, 1-[[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, [S-(all-Z)]-
GPEtnNMe2(16:0/20:4(5Z,8Z,11Z,14Z))[S]

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

LMGP02010321 [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: 760.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 413.9±35.7 °C
Index of Refraction: 1.491
Molar Refractivity: 220.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 14.28
ACD/LogD (pH 5.5): 9.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 384366.41
ACD/LogD (pH 7.4): 9.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 358838.25
Polar Surface Area: 121 Å2
Polarizability: 87.5±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 761.8±3.0 cm3

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