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Structure

Biotin-PEG4-azide

CAS
875770-34-6
Catalog Number
ACM875770346
Category
Other Products; Biotin PEG Linkers
Molecular Weight
444.6g/mol
Molecular Formula
C18H32N6O5S

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Specification

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-azidoethoxy)ethoxy]ethoxy]ethyl]pentanamide
Canonical SMILES
C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C18H32N6O5S/c19-24-21-6-8-28-10-12-29-11-9-27-7-5-20-16(25)4-2-1-3-15-17-14(13-30-15)22-18(26)23-17/h14-15,17H,1-13H2,(H,20,25)(H2,22,23,26)/t14-,15-,17-/m0/s1
InChI Key
ZWFOOMQCYIGZBE-ZOBUZTSGSA-N
Complexity
577
Covalently-Bonded Unit Count
1
Exact Mass
444.215489g/mol
Formal Charge
0
H-Bond Acceptor
8
H-Bond Donor
3
Heavy Atom Count
30
Monoisotopic Mass
444.215489g/mol
Rotatable Bond Count
17
XLogP3
0.5
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