ChemSpider 2D Image | 6-Hydroxy-9-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-methyl-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (13Z)-13-docosenoate | C49H90NO8P

6-Hydroxy-9-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-methyl-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (13Z)-13-docosenoate

  • Molecular FormulaC49H90NO8P
  • Average mass852.215 Da
  • Monoisotopic mass851.640381 Da
  • ChemSpider ID74851239

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z)-13-Docosénoate de 6-hydroxy-9-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-méthyl-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
13-Docosenoic acid, 3-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-2-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]propyl ester, (13Z)- [ACD/Index Name]
6-Hydroxy-9-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-methyl-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (13Z)-13-docosenoate [ACD/IUPAC Name]
6-Hydroxy-9-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]-2-methyl-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
[2-(dimethylamino)ethoxy]({3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy)phosphinic acid
PE-NMe2(22:1(13Z)/20:3(5Z,8Z,11Z))

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: 813.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±6.0 kJ/mol
Flash Point: 445.7±37.1 °C
Index of Refraction: 1.489
Molar Refractivity: 248.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 17.63
ACD/LogD (pH 5.5): 12.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8641217.00
ACD/LogD (pH 7.4): 12.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8067301.00
Polar Surface Area: 121 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 860.8±3.0 cm3

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