ChemSpider 2D Image | 6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacosan-9-yl stearate | C42H84NO8P

6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yl stearate

  • Molecular FormulaC42H84NO8P
  • Average mass762.092 Da
  • Monoisotopic mass761.593445 Da
  • ChemSpider ID7825980

More details:

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

6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yl stearate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-ylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 1-[[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
Stéarate de 6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-5-phosphanonacosan-9-yle [French] [ACD/IUPAC Name]
[2,3-bis(octadecanoyloxy)propoxy][2-(methylamino)ethoxy]phosphinic acid
2,3-bis(octadecanoyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid
Octadecanoic acid, 1-(3-hydroxy-2,4-dioxa-6-aza-3-phosphaoct-1-yl)-1,2-ethanediyl ester, P-oxide
Octadecanoic acid, 1-(3-hydroxy-3-oxido-2,4-dioxa-6-aza-3-phosphaoct-1-yl)-1,2-ethanediyl ester

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

LMGP02010336 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 761.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 414.2±35.7 °C
Index of Refraction: 1.470
Molar Refractivity: 215.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.06
ACD/LogD (pH 5.5): 11.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4987612.00
ACD/LogD (pH 7.4): 11.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4875667.00
Polar Surface Area: 130 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 772.4±3.0 cm3

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