ChemSpider 2D Image | 9-(Docosanoyloxy)-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl docosanoate | C50H100NO8P

9-(Docosanoyloxy)-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl docosanoate

  • Molecular FormulaC50H100NO8P
  • Average mass874.305 Da
  • Monoisotopic mass873.718628 Da
  • ChemSpider ID74850399

More details:

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

9-(Docosanoyloxy)-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl docosanoate [ACD/IUPAC Name]
9-(Docosanoyloxy)-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 9-(docosanoyloxy)-6-hydroxy-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
Docosanoic acid, 1-[[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
[2,3-bis(docosanoyloxy)propoxy][2-(methylamino)ethoxy]phosphinic acid
2,3-bis(docosanoyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(22:0/22:0)

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: 830.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.1±6.0 kJ/mol
Flash Point: 456.3±37.1 °C
Index of Refraction: 1.471
Molar Refractivity: 252.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 20.31
ACD/LogD (pH 5.5): 15.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 130 Å2
Polarizability: 100.2±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 904.4±3.0 cm3

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