ChemSpider 2D Image | 6-Hydroxy-2-methyl-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C41H70NO8P

6-Hydroxy-2-methyl-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC41H70NO8P
  • Average mass735.970 Da
  • Monoisotopic mass735.483887 Da
  • ChemSpider ID74851169

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de 6-hydroxy-2-méthyl-6-oxydo-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, 3-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
6-Hydroxy-2-methyl-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
6-Hydroxy-2-methyl-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy]({3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy)phosphinic acid

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: 741.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.7±6.0 kJ/mol
Flash Point: 402.3±35.7 °C
Index of Refraction: 1.503
Molar Refractivity: 211.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 12.02
ACD/LogD (pH 5.5): 6.59
ACD/BCF (pH 5.5): 15034.99
ACD/KOC (pH 5.5): 6620.93
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 14036.50
ACD/KOC (pH 7.4): 6181.22
Polar Surface Area: 121 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 716.0±3.0 cm3

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