Biotin-PEG4-Alkyne - CAS 1262681-31-1

Catalog:	BB006546
Product Name:	Biotin-PEG4-Alkyne
CAS:	1262681-31-1
Synonyms:	Acetylene-PEG4-biotin conjugate; (3aS,4S,6aR)-Biotin-PEG4-Alkyne

Technical Data

Patents

Computed Properties

IUPAC Name:	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
Description:	Biotin-PEG4-alkyne is a click chemistry biotinylation tool.
Molecular Weight:	457.59
Molecular Formula:	C21H35N3O6S
Canonical SMILES:	C#CCOCCOCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2
InChI:	InChI=1S/C21H35N3O6S/c1-2-8-27-10-12-29-14-15-30-13-11-28-9-7-22-19(25)6-4-3-5-18-20-17(16-31-18)23-21(26)24-20/h1,17-18,20H,3-16H2,(H,22,25)(H2,23,24,26)/t17-,18-,20-/m0/s1
InChI Key:	SKMJWNZZFUDLKQ-BJLQDIEVSA-N
Appearance:	White Powder
LogP:	1.57650

Publication Number	Title	Priority Date
WO-2021097345-A1	Heparan sulfate (hs) oligosaccharides effect in liver ischemia reperfusion injury	20191113
WO-2021074392-A1	Visual detection of pbd induced dna crosslinks	20191016
WO-2020092355-A2	Nanobody-glycan modifying enzyme fusion proteins and uses thereof	20181029
WO-2019090203-A1	Sulfated oligosaccharides having anti-inflammatory activity	20171103
EP-3691653-A1	Sulfated oligosaccharides having anti-inflammatory activity	20171103

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid

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Complexity:	585
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	457.22465702
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	457.22465702
Rotatable Bond Count:	18
Topological Polar Surface Area:	132
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4