ChemSpider 2D Image | (2R)-1-(Phosphonooxy)-3-(tridecanoyloxy)-2-propanyl pentadecanoate | C31H61O8P

(2R)-1-(Phosphonooxy)-3-(tridecanoyloxy)-2-propanyl pentadecanoate

  • Molecular FormulaC31H61O8P
  • Average mass592.785 Da
  • Monoisotopic mass592.410400 Da
  • ChemSpider ID394783

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1r)-2-(Phosphonooxy)-1-[(Tridecanoyloxy)methyl]ethyl Pentadecanoate
(2R)-1-(Phosphonooxy)-3-(tridecanoyloxy)-2-propanyl pentadecanoate [ACD/IUPAC Name]
(2R)-1-(Phosphonooxy)-3-(tridecanoyloxy)-2-propanyl-pentadecanoat [German] [ACD/IUPAC Name]
Pentadécanoate de (2R)-1-(phosphonooxy)-3-(tridecanoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
Pentadecanoic acid, (1R)-2-[(1-oxotridecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE
1-tridecanoyl-2-pentadecanoyl-glycero-3-phosphate
3PH
6PH
PA(13:0/15:0)
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 668.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 358.2±34.3 °C
Index of Refraction: 1.473
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 11.55
ACD/LogD (pH 5.5): 7.31
ACD/BCF (pH 5.5): 33012.59
ACD/KOC (pH 5.5): 6591.29
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 3884.25
ACD/KOC (pH 7.4): 775.53
Polar Surface Area: 129 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 573.1±3.0 cm3

Click to predict properties on the Chemicalize site


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