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114177-02-5 | Thiazolium, 3-(4-hydroxy-7-methoxy-4-oxido-3,5,9-trioxa-4-phosphaheptacos-1-yl)-, inner salt (9CI)
CAS No: 114177-02-5 Catalog No: AG000AQF MDL No:
Product Description
Catalog Number:
AG000AQF
Chemical Name:
Thiazolium, 3-(4-hydroxy-7-methoxy-4-oxido-3,5,9-trioxa-4-phosphaheptacos-1-yl)-, inner salt (9CI)
CAS Number:
114177-02-5
IUPAC Name:
(2-methoxy-3-octadecoxypropyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate
InChI:
InChI=1S/C27H52NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-24-27(31-2)25-34-35(29,30)33-22-19-28-20-23-36-26-28/h20,23,26-27H,3-19,21-22,24-25H2,1-2H3
InChI Key:
AHJGHSUICRIMHK-UHFFFAOYSA-N
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.325g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
549.748g/mol
Monoisotopic Mass:
549.325g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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