CAS
120550-35-8 Purity
≥98%
120550-35-8 Purity
≥98%
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Biotin-PEG3-amine
CAS
138529-46-1
Catalog Number
ACM138529461
Category
Biotin PEG Linkers
Molecular Weight
374.5g/mol
Molecular Formula
C16H30N4O4S
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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-aminoethoxy)ethoxy]ethyl]pentanamide
Canonical SMILES
C1C2C(C(S1)CCCCC(=O)NCCOCCOCCN)NC(=O)N2
InChI
InChI=1S/C16H30N4O4S/c17-5-7-23-9-10-24-8-6-18-14(21)4-2-1-3-13-15-12(11-25-13)19-16(22)20-15/h12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,22)/t12-,13-,15-/m0/s1
InChI Key
LWISPDYGRSGXME-YDHLFZDLSA-N
Complexity
427
Covalently-Bonded Unit Count
1
Exact Mass
374.198777g/mol
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
4
Heavy Atom Count
25
Monoisotopic Mass
374.198777g/mol
Rotatable Bond Count
13
XLogP3
-1.2
Upstream Synthesis Route 1
- 929-59-9
- 120550-35-8
- 138529-46-1
Reference: [1]Organic and biomolecular chemistry,2003,vol. 1,p. 950 - 959
[2]Biomacromolecules,2012,vol. 13,p. 2831 - 2842
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