ChemSpider 2D Image | 2-({6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C36H62N5O11P

2-({6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC36H62N5O11P
  • Average mass771.878 Da
  • Monoisotopic mass771.418335 Da
  • ChemSpider ID110314

More details:

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

2-({6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
2-({6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
4-Hydroxy-N,N,N-trimethyl-7-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-oxohexyl]oxy]-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide
81005-34-7 [RN]
Ethanaminium, 2-[[hydroxy[2-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-1-oxohexyl]oxy]-3-[(1-oxohexadecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de 2-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)-3-(palmitoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[3-(HEXADECANOYLOXY)-2-({6-[(7-NITRO-2,1,3-BENZOXADIAZOL-4-YL)AMINO]HEXANOYL}OXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM
[3-Hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
1-palmitoyl-2-(6-(N-(7-nitrobenz)-2-oxa-1,3-diazol-4-yl)aminocaproyl)phosphatidylcholine
3-(hexadecanoyloxy)-2-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)propyl 2-(trimethylammonio)ethyl phosphate
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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: 16
#H bond donors: 2
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 1191.77
ACD/KOC (pH 5.5): 8204.63
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 1191.81
ACD/KOC (pH 7.4): 8204.91
Polar Surface Area: 218 Å2
Polarizability:
Surface Tension:
Molar Volume:

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