Biotin-PEG4-S-S-acid

CAT: 0127-BIPG2453-01Size: 50 mgDry Ice: NoHazardous: No

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CAS Number

1380166-80-2

Purity

98%

Smiles

C1C2C (C (S1) CCCCC (=O) NCCOCCOCCOCCOCCC (=O) NCCSSCCC (=O) O) NC (=O) N2

Chemical Information

Biotin-PEG4-S-S-acid

CAS Number	1380166-80-2
PubChem CID	139593584
IUPAC Name	3-[2-[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyldisulfanyl]propanoic acid
Molecular Formula	C26H46N4O9S3
Molecular Weight	654.9
XLogP	-1.1
Topological Polar Surface Area	249
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	27
Heavy Atom Count	42
Formal Charge	0
Complexity	800

SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCSSCCC(=O)O)NC(=O)N2

InChI

InChI=1S/C26H46N4O9S3/c31-22(4-2-1-3-21-25-20(19-40-21)29-26(35)30-25)27-7-10-37-12-14-39-16-15-38-13-11-36-9-5-23(32)28-8-18-42-41-17-6-24(33)34/h20-21,25H,1-19H2,(H,27,31)(H,28,32)(H,33,34)(H2,29,30,35)/t20-,21-,25-/m0/s1

InChIKey

JHFNDTQMSDEJOG-WATLYSKOSA-N

Chemical Structure

2D Structure

CAS: 1380166-80-2

CID: 139593584

Formula: C26H46N4O9S3

MW: 654.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	654.9
XLogP3	-1.1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	27
Exact Mass	654.24269258
Monoisotopic Mass	654.24269258
Topological Polar Surface Area	249 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	800
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-W190940	Biotin-PEG4-S-S-acid
T14107-01	Acid-PEG4-S-S-PEG4-acid
HY-140589	Acid-PEG4-S-PEG4-acid
MD041032-4	Biotin-PEG4-S-S-NHS
HY-140597	Propargyl-PEG4-S-PEG4-acid
HY-W190956-01	(S, R, S) -AHPC-PEG4-acid
MBS5770043	(S)-TCO-PEG4-acid
HY-141159A	(S) -TCO-PEG4-acid
516932	S-acetyl-PEG4-Alkyne (S-acetyl-PEG4-propargyl)
HY-140599	Propargyl-PEG4-S-PEG4-Boc

Biotin-PEG4-S-S-acid

Chemical Information

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