2-[[2-[(E)-7-carboxy-5-oxohept-6-enoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium


Chemical Name: 2-[[2-[(E)-7-carboxy-5-oxohept-6-enoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CAS Number: 439904-33-3
Product Number: AG00DAAP(AGN-PC-0LPKJ8)
Synonyms:
MDL No: MFCD12912356
Molecular Formula: C32H58NO11P
Molecular Weight: 663.7768

Identification/Properties


Computed Properties
Molecular Weight:
663.786g/mol
XLogP3:
5.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
32
Exact Mass:
663.375g/mol
Monoisotopic Mass:
663.375g/mol
Topological Polar Surface Area:
166A^2
Heavy Atom Count:
45
Formal Charge:
0
Complexity:
909
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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