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Search term: 113378918 (Found by CSID)
ChemSpider 2D Image | (2R)-1-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)-2-propanyl stearate | C36H69O8P

(2R)-1-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)-2-propanyl stearate

  • Molecular FormulaC36H69O8P
  • Average mass660.902 Da
  • Monoisotopic mass660.473022 Da
  • ChemSpider ID113378918

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)-2-propanyl stearate [ACD/IUPAC Name]
(2R)-1-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)-2-propanylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (1R)-2-[[(9Z)-1-oxo-9-pentadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
Stéarate de (2R)-1-[(9Z)-9-pentadecenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(9Z-pentadecenoyl)-2-octadecanoyl-glycero-3-phosphate
PA(15:1(9Z)/18:0)
PA(15:1_18:0)
PA(33:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 715.9±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: 386.8±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 184.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 13.69
ACD/LogD (pH 5.5): 8.83
ACD/BCF (pH 5.5): 468726.91
ACD/KOC (pH 5.5): 44028.27
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 55150.38
ACD/KOC (pH 7.4): 5180.36
Polar Surface Area: 129 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 649.3±3.0 cm3

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