(2-pyridyldithio) -PEG4 acid

CAT: 0127-OR1006884-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1006884-01Size:50 mg

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CAS Number

581065-93-2

Purity

97%

Smiles

O=C(O)CCOCCOCCOCCOCCSSC1=NC=CC=C1

Chemical Information

(2-pyridyldithio)-PEG4 acid

CAS Number	581065-93-2
PubChem CID	22731904
IUPAC Name	3-[2-[2-[2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular Formula	C16H25NO6S2
Molecular Weight	391.5
XLogP	0.6
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	17
Heavy Atom Count	25
Formal Charge	0
Complexity	325

SMILES

C1=CC=NC(=C1)SSCCOCCOCCOCCOCCC(=O)O

InChI

InChI=1S/C16H25NO6S2/c18-16(19)4-6-20-7-8-21-9-10-22-11-12-23-13-14-24-25-15-3-1-2-5-17-15/h1-3,5H,4,6-14H2,(H,18,19)

InChIKey

YOJQJVOLXIGESQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 581065-93-2

CID: 22731904

Formula: C16H25NO6S2

MW: 391.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	391.5
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	17
Exact Mass	391.11232986
Monoisotopic Mass	391.11232986
Topological Polar Surface Area	138 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	325
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1007099-01	(2-Pyridyldithio) -PEG4-propargyl
OR1001511-01	(2-Pyridyldithio) -PEG4-alcohol
OR97191-01	3- (2-pyridyldithio) propionic acid
BIPG2587-01	(2-pyridyldithio) -PEG3-OMe
OR1041434-01	(2-Pyridyldithio) -PEG2-Boc
BICL225	3- (2-Pyridyldithio) propionic acid hydrazine hydrochloride
BUP14059-01	2- (Pyridyldithio) ethylamine hydrochloride
BIPG1006-01	Acid-PEG4-S-S-PEG4-Acid
OR1006517	Desthiobiotin-PEG4-acid
BIPG1430-01	Hydroxy-PEG4-acid

Catalog	Name
T17331-01	(2-pyridyldithio) -PEG4 acid
MBS5770207	(2-pyridyldithio)-PEG4 acid
S8020-30	Sulfo-NHS- (PEG4-bismannose) -SS-biotin (rac-3-[ (2-biotinylamidoethyl) dithiopropionylamino]-N-11-[4-benzoyl]-1,3-bis- (D-mannos-4-yloxy) -2-propylamino]-3,6,9,12-tetraoxododecanyl]-N’-[3-sulfosuccinimidylpropanoyl]malonic Acid Diamide) discontinued
HY-141359-01	(2-Pyridyldithio) -PEG4-alcohol
HY-141360-01	(2-Pyridyldithio) -PEG4-propargyl
MBS5768263	(2-Pyridyldithio)-PEG4-alcohol
MBS5768264	(2-Pyridyldithio)-PEG4-propargyl
GTR19234443-01	(2-Pyridyldithio) -PEG6 acid
T14023-01	3- (2-Pyridyldithio) propanoic Acid
MBS6054302-01	3-(2-Pyridyldithio)propanoic Acid