ChemSpider 2D Image | (1s)-2-{[{[(2r)-2,3-Dihydroxypropyl]oxy}(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl Stearate | C40H79O10P

(1s)-2-{[{[(2r)-2,3-Dihydroxypropyl]oxy}(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl Stearate

  • Molecular FormulaC40H79O10P
  • Average mass751.023 Da
  • Monoisotopic mass750.541077 Da
  • ChemSpider ID13168796

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(19S,25R)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl stearate [ACD/IUPAC Name]
(19S,25R)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-ylstearat [German] [ACD/IUPAC Name]
(1s)-2-{[{[(2r)-2,3-Dihydroxypropyl]oxy}(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl Stearate
Octadecanoic acid, (1S)-2-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de (19S,25R)-22,25,26-trihydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yle [French] [ACD/IUPAC Name]
PGT

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

PubChem Substance ID 24898037 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 779.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 425.0±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 205.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.09
ACD/LogD (pH 5.5): 9.21
ACD/BCF (pH 5.5): 891999.44
ACD/KOC (pH 5.5): 67153.82
ACD/LogD (pH 7.4): 9.14
ACD/BCF (pH 7.4): 754397.44
ACD/KOC (pH 7.4): 56794.50
Polar Surface Area: 159 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 725.9±3.0 cm3

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