ChemSpider 2D Image | (17Z,20Z,23Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacosa-17,20,23-trien-9-yl (15Z)-15-tetracosenoate | C49H90NO8P

(17Z,20Z,23Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23-trien-9-yl (15Z)-15-tetracosenoate

  • Molecular FormulaC49H90NO8P
  • Average mass852.215 Da
  • Monoisotopic mass851.640381 Da
  • ChemSpider ID74850910

  • Double-bond stereo - Double-bond stereo

More details:

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

(15Z)-15-Tétracosénoate de (17Z,20Z,23Z)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23-trién-9-yle [French] [ACD/IUPAC Name]
(17Z,20Z,23Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23-trien-9-yl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(17Z,20Z,23Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosa-17,20,23-trien-9-yl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]methyl]ethyl ester, (15Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy)phosphinic acid
PE-NMe2(18:3(6Z,9Z,12Z)/24:1(15Z))

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: 17.58
ACD/LogD (pH 5.5): 11.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4803245.50
ACD/LogD (pH 7.4): 11.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4484266.50
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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