Desthiobiotin-TEG Azide - CAS 1306615-47-3

Catalog:	BB068414
Product Name:	Desthiobiotin-TEG Azide
CAS:	1306615-47-3
Synonyms:	(4R,5S)-rel-N-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]-5-methyl-2-oxo-4-imidazolidinehexanamide

Technical Data

IUPAC Name:	N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
Description:	Desthiobiotin-TEG Azide allows cycloaddition reaction between alkynes and azides.
Molecular Weight:	414.5
Molecular Formula:	C18H34N6O5
Canonical SMILES:	CC1C(NC(=O)N1)CCCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChI:	InChI=1S/C18H34N6O5/c1-15-16(23-18(26)22-15)5-3-2-4-6-17(25)20-7-9-27-11-13-29-14-12-28-10-8-21-24-19/h15-16H,2-14H2,1H3,(H,20,25)(H2,22,23,26)/t15-,16+/m1/s1
InChI Key:	JIQVKRRASYKCEL-CVEARBPZSA-N
References:	Huisgen, R. Angew. Chem. Int. Ed., 2, 565-568 (1963); Green, N. M., et al. Methods Enzymol., 18A, 418-424 (1970).

Complexity:	515
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	414.25906821
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	414.25906821
Rotatable Bond Count:	18
Topological Polar Surface Area:	112Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1