ChemSpider 2D Image | (7R,14S,15S)-14,15-Dibromo-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide | C42H83Br2NO8P

(7R,14S,15S)-14,15-Dibromo-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide

  • Molecular FormulaC42H83Br2NO8P
  • Average mass920.891 Da
  • Monoisotopic mass918.421753 Da
  • ChemSpider ID13168793

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(7R,14S,15S) 4-Oxyde de 14,15-dibromo-4-hydroxy-N,N,N-triméthyl-9-oxo-7-[(palmitoyloxy)méthyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium [French] [ACD/IUPAC Name]
(7R,14S,15S)-14,15-Dibrom-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium-4-oxid [German] [ACD/IUPAC Name]
(7R,14S,15S)-14,15-Dibromo-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-2-[[(6S,7S)-6,7-dibromo-1-oxooctadecyl]oxy]-3-[(1-oxohexadecyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 11.83
ACD/LogD (pH 5.5): 11.15
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.15
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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