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824432-20-4 | Pyridinium, 1-[8-[(2R)-2-hydroxy-1-oxo-3-phenylpropoxy]octyl]-, iodide
CAS No: 824432-20-4 Catalog No: AG004VZI MDL No:
Product Description
Catalog Number:
AG004VZI
Chemical Name:
Pyridinium, 1-[8-[(2R)-2-hydroxy-1-oxo-3-phenylpropoxy]octyl]-, iodide
CAS Number:
824432-20-4
Molecular Formula:
C22H30INO3
Molecular Weight:
483.3830
IUPAC Name:
8-pyridin-1-ium-1-yloctyl (2R)-2-hydroxy-3-phenylpropanoate;iodide
InChI:
InChI=1S/C22H30NO3.HI/c24-21(19-20-13-7-5-8-14-20)22(25)26-18-12-4-2-1-3-9-15-23-16-10-6-11-17-23;/h5-8,10-11,13-14,16-17,21,24H,1-4,9,12,15,18-19H2;1H/q+1;/p-1/t21-;/m1./s1
InChI Key:
RXGDXSPWORZIDM-ZMBIFBSDSA-M
SMILES:
O=C([C@@H](Cc1ccccc1)O)OCCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
483.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
483.39g/mol
Monoisotopic Mass:
483.127g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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