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155575-01-2

155575-01-2 | 3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium, 7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (7R,16Z,19Z,22Z)- (9CI)

CAS No: 155575-01-2 Catalog No: AG001NZS MDL No:

Product Description

Catalog Number:
AG001NZS
Chemical Name:
3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium, 7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (7R,16Z,19Z,22Z)- (9CI)
CAS Number:
155575-01-2
Molecular Formula:
C44H84NO7P
Molecular Weight:
770.1140
IUPAC Name:
[(2R)-3-hexadecoxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/b16-14-,22-20-,25-24-/t43-/m1/s1
InChI Key:
VYKSGWCIVDQIQR-MEAIPJDCSA-N
SMILES:
CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]

Properties

Complexity:
938  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
3  
Exact Mass:
769.599g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
770.13g/mol
Monoisotopic Mass:
769.599g/mol
Rotatable Bond Count:
41  
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7  

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