ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropyl palmitate | C22H45O9P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropyl palmitate

  • Molecular FormulaC22H45O9P
  • Average mass484.561 Da
  • Monoisotopic mass484.280121 Da
  • ChemSpider ID24823104

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropyl palmitate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-hydroxypropyl ester [ACD/Index Name]
Palmitate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropyle [French] [ACD/IUPAC Name]
1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
1-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LPG(16:0)
LPG(16:0/0:0)
PG(16:0/0:0)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 332.8±34.3 °C
Index of Refraction: 1.490
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.95
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 153 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 422.8±3.0 cm3

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