8-Oxononanoic Acid - CAS 25542-64-7

Technical Data

IUPAC Name:	8-oxononanoic acid
Description:	8-Oxononanoic Acid (CAS# 25542-64-7) is used in the preparation of a cancer vaccine comprising a synergistic combination of TLR- 9 agonist and a glycolipid- peptide conjugate. It can also be used to synthesize 10-hydroxycamptothecine derivative useful in treatment of cancer as well as to synthesize glycolipid peptide conjugates for use as antimalarial vaccines.
Molecular Weight:	172.22
Molecular Formula:	C9H16O3
Canonical SMILES:	CC(=O)CCCCCCC(=O)O
InChI:	InChI=1S/C9H16O3/c1-8(10)6-4-2-3-5-7-9(11)12/h2-7H2,1H3,(H,11,12)
InChI Key:	KNPGTJGXMGNBAY-UHFFFAOYSA-N
References:	Hermans, I. F., et. al. PCT Int. Appl., 75pp. (2021); Liu, Y. Faming Zhuanli Shenqing, 22pp. (2017); Godfrey, D. I., et. al. PCT Int. Appl., 133pp. (2020).

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.109944368
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.109944368
Rotatable Bond Count:	7
Topological Polar Surface Area:	54.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2