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Search term: 74876581 (Found by CSID)
ChemSpider 2D Image | (2R)-1-(Pentadecanoyloxy)-3-(phosphonooxy)-2-propanyl stearate | C36H71O8P

(2R)-1-(Pentadecanoyloxy)-3-(phosphonooxy)-2-propanyl stearate

  • Molecular FormulaC36H71O8P
  • Average mass662.918 Da
  • Monoisotopic mass662.488647 Da
  • ChemSpider ID74876581

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(Pentadecanoyloxy)-3-(phosphonooxy)-2-propanyl stearate [ACD/IUPAC Name]
(2R)-1-(Pentadecanoyloxy)-3-(phosphonooxy)-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (1R)-2-[(1-oxopentadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
Stéarate de (2R)-1-(pentadecanoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-2-(octadecanoyloxy)-3-(pentadecanoyloxy)propoxyphosphonic acid
[(2R)-2-(octadecanoyloxy)-3-(pentadecanoyloxy)propoxy]phosphonic acid
1-pentadecanoyl-2-octadecanoyl-glycero-3-phosphate
PA(15:0/18:0)
PA(15:0_18:0)
PA(33:0)

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 716.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.0±6.0 kJ/mol
Flash Point: 387.0±35.7 °C
Index of Refraction: 1.473
Molar Refractivity: 184.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 14.20
ACD/LogD (pH 5.5): 9.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 104086.53
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 183474.83
ACD/KOC (pH 7.4): 12246.79
Polar Surface Area: 129 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 655.6±3.0 cm3

Click to predict properties on the Chemicalize site


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