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10216-23-6 | Ethanaminium, 2-[[[[(2S,3R,4E)-2-amino-3-hydroxy-4-octadecen-1-yl]oxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, chloride (1:1)
CAS No: 10216-23-6 Catalog No: AG0006S4 MDL No:
Product Description
Catalog Number:
AG0006S4
Chemical Name:
Ethanaminium, 2-[[[[(2S,3R,4E)-2-amino-3-hydroxy-4-octadecen-1-yl]oxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, chloride (1:1)
CAS Number:
10216-23-6
Molecular Formula:
C23H50ClN2O5P
Molecular Weight:
501.0803
IUPAC Name:
2-[[(E)-2-amino-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
InChI:
InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+
InChI Key:
JLVSPVFPBBFMBE-ISLYRVAYSA-O
SMILES:
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OCC[N+](C)(C)C)O)N)O.[Cl-]
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
465.346g/mol
Formal Charge:
1
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
465.636g/mol
Monoisotopic Mass:
465.346g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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