Found 1 result

Search term: 74849999 (Found by CSID)
ChemSpider 2D Image | (22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacos-22-en-9-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C44H78NO8P

(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC44H78NO8P
  • Average mass780.066 Da
  • Monoisotopic mass779.546509 Da
  • ChemSpider ID74849999

  • Double-bond stereo - Double-bond stereo

More details:

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

(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(22Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-en-9-yl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (22Z)-6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacos-22-én-9-yle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
{2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))

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: 776.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 423.5±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 225.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.21
ACD/LogD (pH 5.5): 8.36
ACD/BCF (pH 5.5): 333806.81
ACD/KOC (pH 5.5): 60915.13
ACD/LogD (pH 7.4): 8.35
ACD/BCF (pH 7.4): 326314.66
ACD/KOC (pH 7.4): 59547.92
Polar Surface Area: 130 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 773.4±3.0 cm3

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