ChemSpider 2D Image | MFCD20264862 | C22D43O10P

MFCD20264862

  • Molecular FormulaC22D43O10P
  • Average mass541.810 Da
  • Monoisotopic mass541.529297 Da
  • ChemSpider ID49072523
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H15)Octanoate de 3-({({2,3-bis[(2H)hydroxy](2H5)propyl}oxy)[(2H)hydroxy]phosphoryl}oxy)-2-[(2H15)octanoyloxy](2H5)propyle [French] [ACD/IUPAC Name]
3-({({2,3-Bis[(2H)hydroxy](2H5)propyl}oxy)[(2H)hydroxy]phosphoryl}oxy)-2-[(2H15)octanoyloxy](2H5)propyl (2H15)octanoate [ACD/IUPAC Name]
3-({({2,3-Bis[(2H)hydroxy](2H5)propyl}oxy)[(2H)hydroxy]phosphoryl}oxy)-2-[(2H15)octanoyloxy](2H5)propyl-(2H15)octanoat [German] [ACD/IUPAC Name]
MFCD20264862
Octanoic-d15 acid, 1-[[[[[2,3-di(hydroxy-d)propyl-1,1,2,3,3-d5]oxy]hydroxy-d-phosphinyl]oxy]methyl-d2]-1,2-ethanediyl-1,2,2-d3 ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 324.0±34.3 °C
Index of Refraction: 1.483
Molar Refractivity: 122.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 1
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 159 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 428.8±3.0 cm3

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