3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-


Chemical Name: 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-
CAS Number: 19420-57-6
Product Number: AG01CCJH(AGN-PC-0QMP5E)
Synonyms:
MDL No:
Molecular Formula: C26H54NO7P
Molecular Weight: 523.6832

Identification/Properties


Computed Properties
Molecular Weight:
523.692g/mol
XLogP3:
6.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
26
Exact Mass:
523.364g/mol
Monoisotopic Mass:
523.364g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
546
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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