ChemSpider 2D Image | (1r)-2-{[{[(2r)-2,3-Dihydroxypropyl]oxy}(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl (9s,10s)-9,10-Dibromooctadecanoate | C40H77Br2O10P

(1r)-2-{[{[(2r)-2,3-Dihydroxypropyl]oxy}(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl (9s,10s)-9,10-Dibromooctadecanoate

  • Molecular FormulaC40H77Br2O10P
  • Average mass908.815 Da
  • Monoisotopic mass906.362122 Da
  • ChemSpider ID13168797

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(19R,25R)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl (9S,10S)-9,10-dibromooctadecanoate [ACD/IUPAC Name]
(19R,25R)-22,25,26-Trihydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yl-(9S,10S)-9,10-dibromoctadecanoat [German] [ACD/IUPAC Name]
(1r)-2-{[{[(2r)-2,3-Dihydroxypropyl]oxy}(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl (9s,10s)-9,10-Dibromooctadecanoate
(9S,10S)-9,10-Dibromooctadécanoate de (19R,25R)-22,25,26-trihydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphahexacosan-19-yle [French] [ACD/IUPAC Name]
Octadecanoic acid, 9,10-dibromo-, (1R)-2-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (9S,10S)- [ACD/Index Name]
PGK

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

Density: 1.2±0.1 g/cm3
Boiling Point: 838.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.5±6.0 kJ/mol
Flash Point: 460.6±37.1 °C
Index of Refraction: 1.499
Molar Refractivity: 221.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 13.98
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 79367.80
ACD/LogD (pH 7.4): 9.27
ACD/BCF (pH 7.4): 952774.38
ACD/KOC (pH 7.4): 67124.34
Polar Surface Area: 159 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 753.0±3.0 cm3

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