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Search term: 113377048 (Found by CSID)
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyl stearate | C37H73O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyl stearate

  • Molecular FormulaC37H73O10P
  • Average mass708.943 Da
  • Monoisotopic mass708.494141 Da
  • ChemSpider ID113377048

  • 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-(tridecanoyloxy)propyl stearate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxotridecyl)oxy]propyl ester [ACD/Index Name]
Stéarate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
1-octadecanoyl-2-tridecanoyl-glycero-3-phospho-(1'-sn-glycerol)
PG(13:0_18:0)
PG(18:0/13:0)
PG(31:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 752.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 409.1±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 191.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 12.50
ACD/LogD (pH 5.5): 8.06
ACD/BCF (pH 5.5): 118277.13
ACD/KOC (pH 5.5): 15812.18
ACD/LogD (pH 7.4): 7.99
ACD/BCF (pH 7.4): 100031.30
ACD/KOC (pH 7.4): 13372.94
Polar Surface Area: 159 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 676.4±3.0 cm3

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