ChemSpider 2D Image | (2S)-2,3-Bis(icosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C48H96NO8P

(2S)-2,3-Bis(icosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC48H96NO8P
  • Average mass846.252 Da
  • Monoisotopic mass845.687378 Da
  • ChemSpider ID24822634

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,3-Bis(icosanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S)-2,3-Bis(icosanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2S)-2,3-bis[(1-oxoeicosyl)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S)-2,3-bis(icosanoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
[(2S)-2,3-bis(1-oxoicosoxy)propyl] 2-trimethylammonioethyl phosphate
[(2S)-2,3-di(icosanoyloxy)propyl] 2-trimethylammonioethyl phosphate
[(2S)-2,3-di(icosanoyloxy)propyl] 2-trimethylazaniumylethyl phosphate
1,2-Diarachidoyl-sn-glycero-3-phosphocholine
2,3-dieicosanoyl-sn-glycero-3-phosphocholine
3,5,9-Trioxa-4-phosphanonacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoeicosyl)oxy]-, inner salt, 4-oxide, (S)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP01011015 [DBID]

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: 48
#Rule of 5 Violations: 2
ACD/LogP: 15.13
ACD/LogD (pH 5.5): 13.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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