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90369-09-8 | Phosphonium, triphenyl[5-[(tetrahydro-2H-pyran-2-yl)oxy]pentyl]-, iodide
CAS No: 90369-09-8 Catalog No: AG006QY2 MDL No:
Product Description
Catalog Number:
AG006QY2
Chemical Name:
Phosphonium, triphenyl[5-[(tetrahydro-2H-pyran-2-yl)oxy]pentyl]-, iodide
CAS Number:
90369-09-8
Molecular Formula:
C28H34IO2P
Molecular Weight:
560.4466
IUPAC Name:
5-(oxan-2-yloxy)pentyl-triphenylphosphanium;iodide
InChI:
InChI=1S/C28H34O2P.HI/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26,27-19-9-3-10-20-27)24-14-4-12-22-29-28-21-11-13-23-30-28;/h1-3,5-10,15-20,28H,4,11-14,21-24H2;1H/q+1;/p-1
InChI Key:
LCKAXXRWHSWMJS-UHFFFAOYSA-M
SMILES:
C(COC1CCCCO1)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.134g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
560.456g/mol
Monoisotopic Mass:
560.134g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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