ChemSpider 2D Image | (2R)-3-({[(2R)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyl (13,13,14,14,15,15,16,16,16-~2~H_9_)hexadecanoate | C38H66D9O10P

(2R)-3-({[(2R)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyl (13,13,14,14,15,15,16,16,16-2H9)hexadecanoate

  • Molecular FormulaC38H66D9O10P
  • Average mass732.025 Da
  • Monoisotopic mass731.566284 Da
  • ChemSpider ID128942124

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(13,13,14,14,15,15,16,16,16-2H9)Hexadécanoate de (2R)-3-({[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-({[(2R)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyl (13,13,14,14,15,15,16,16,16-2H9)hexadecanoate [ACD/IUPAC Name]
(2R)-3-({[(2R)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(palmitoyloxy)propyl-(13,13,14,14,15,15,16,16,16-2H9)hexadecanoat [German] [ACD/IUPAC Name]
Hexadecanoic-13,13,14,14,15,15,16,16,16-d9 acid, (2R)-3-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 761.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 414.4±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 196.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.03
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 228558.23
ACD/KOC (pH 5.5): 25338.20
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 193300.28
ACD/KOC (pH 7.4): 21429.46
Polar Surface Area: 159 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 692.9±3.0 cm3

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