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2055045-04-8 | Biotin-PEG6-NHS ester
CAS No: 2055045-04-8 Catalog No: AG019E3Y MDL No:
Product Description
Catalog Number:
AG019E3Y
Chemical Name:
Biotin-PEG6-NHS ester
CAS Number:
2055045-04-8
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[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]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C29H48N4O12S/c34-24(4-2-1-3-23-28-22(21-46-23)31-29(38)32-28)30-8-10-40-12-14-42-16-18-44-20-19-43-17-15-41-13-11-39-9-7-27(37)45-33-25(35)5-6-26(33)36/h22-23,28H,1-21H2,(H,30,34)(H2,31,32,38)/t22-,23-,28-/m0/s1
InChI Key:
QWDVPTVNWZPKBQ-LXWOLXCRSA-N
Properties
Complexity:
945
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
676.299g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
676.779g/mol
Monoisotopic Mass:
676.299g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
215A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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