ChemSpider 2D Image | (20Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphapentacos-20-en-9-yl tetracosanoate | C44H86NO8P

(20Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphapentacos-20-en-9-yl tetracosanoate

  • Molecular FormulaC44H86NO8P
  • Average mass788.129 Da
  • Monoisotopic mass787.609131 Da
  • ChemSpider ID74849889

  • Double-bond stereo - Double-bond stereo

More details:

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

(20Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphapentacos-20-en-9-yl tetracosanoate [ACD/IUPAC Name]
(20Z)-6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphapentacos-20-en-9-yl-tetracosanoat [German] [ACD/IUPAC Name]
Tétracosanoate de (20Z)-6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphapentacos-20-én-9-yle [French] [ACD/IUPAC Name]
Tetracosanoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
[2-(methylamino)ethoxy][2-(tetracosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propoxy]phosphinic acid
2-(methylamino)ethoxy(2-(tetracosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propoxy)phosphinic acid
PE-NMe(14:1(9Z)/24:0)

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: 778.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 424.7±35.7 °C
Index of Refraction: 1.475
Molar Refractivity: 225.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.61
ACD/LogD (pH 5.5): 11.39
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2707955.50
ACD/LogD (pH 7.4): 11.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2647176.50
Polar Surface Area: 130 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 799.0±3.0 cm3

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