13-Tetradecynoic Acid - CAS 82909-47-5

Catalog:	BB036935
Product Name:	13-Tetradecynoic Acid
CAS:	82909-47-5
Synonyms:	Alkynyl Myristic Acid;13-tetradecynoic acid; tetradec-13-ynoic acid

Technical Data

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Computed Properties

IUPAC Name:	tetradec-13-ynoic acid
Description:	13-Tetradecynoic Acid (CAS# 82909-47-5) is a useful research chemical.
Molecular Weight:	224.34
Molecular Formula:	C14H24O2
Canonical SMILES:	C#CCCCCCCCCCCCC(=O)O
InChI:	InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h1H,3-13H2,(H,15,16)
InChI Key:	JNXXRQLAAJXERE-UHFFFAOYSA-N
Purity:	95%
Solubility:	In DMSO: 100 mg/mL (445.75 mM; Need ultrasonic)
Storage:	4°C, sealed storage, away from moisture and light; In solvent, -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
LogP:	3.99530

Publication Number	Title	Priority Date
US-2020299738-A1	Human gut microbiome-derived biosynthetic enzymes for production of fatty acid amides	20190308
WO-2020185627-A1	Human gut microbiome-derived biosynthetic enzymes for production of fatty acid amides	20190308
US-2020181223-A1	Insulin conjugates	20181211
WO-2020120463-A1	Insulin conjugates	20181211
WO-2020120479-A1	Peptide binder	20181211

PMID	Publication Date	Title	Journal
24451586	20140201	Validation of N-myristoyltransferase as an antimalarial drug target using an integrated chemical biology approach	Nature chemistry

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Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.177630004
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.177630004
Rotatable Bond Count:	11
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2