ChemSpider 2D Image | (1r)-2-{[(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl (9s,10s)-9,10-Dibromooctadecanoate | C39H76Br2NO8P

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

  • Molecular FormulaC39H76Br2NO8P
  • Average mass877.804 Da
  • Monoisotopic mass875.367493 Da
  • ChemSpider ID13168799

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(19R)-25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl (9S,10S)-9,10-dibromooctadecanoate [ACD/IUPAC Name]
(19R)-25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl-(9S,10S)-9,10-dibromoctadecanoat [German] [ACD/IUPAC Name]
(1r)-2-{[(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl (9s,10s)-9,10-Dibromooctadecanoate
(9S,10S)-9,10-Dibromooctadécanoate de (19R)-25-amino-22-hydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
Octadecanoic acid, 9,10-dibromo-, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester, (9S,10S)- [ACD/Index Name]
PEW

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

Density: 1.2±0.1 g/cm3
Boiling Point: 801.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 126.6±6.0 kJ/mol
Flash Point: 438.5±37.1 °C
Index of Refraction: 1.495
Molar Refractivity: 217.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.66
ACD/LogD (pH 5.5): 10.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1194204.88
ACD/LogD (pH 7.4): 10.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 962091.31
Polar Surface Area: 144 Å2
Polarizability: 86.0±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 744.8±3.0 cm3

Click to predict properties on the Chemicalize site


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