200,000+ products from a single source!
sales@angenechem.com
824432-18-0 | Pyridinium, 1-[8-[(2S)-1-oxo-2-(phenylmethoxy)propoxy]octyl]-, iodide
CAS No: 824432-18-0 Catalog No: AG0050Q9 MDL No:
Product Description
Catalog Number:
AG0050Q9
Chemical Name:
Pyridinium, 1-[8-[(2S)-1-oxo-2-(phenylmethoxy)propoxy]octyl]-, iodide
CAS Number:
824432-18-0
Molecular Formula:
C23H32INO3
Molecular Weight:
497.4096
IUPAC Name:
8-pyridin-1-ium-1-yloctyl (2S)-2-phenylmethoxypropanoate;iodide
InChI:
InChI=1S/C23H32NO3.HI/c1-21(27-20-22-14-8-6-9-15-22)23(25)26-19-13-5-3-2-4-10-16-24-17-11-7-12-18-24;/h6-9,11-12,14-15,17-18,21H,2-5,10,13,16,19-20H2,1H3;1H/q+1;/p-1/t21-;/m0./s1
InChI Key:
OTPOWIRHEUFHBK-BOXHHOBZSA-M
SMILES:
O=C([C@@H](OCc1ccccc1)C)OCCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
497.143g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.417g/mol
Monoisotopic Mass:
497.143g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.