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2143964-62-7 | Biotin-PEG8-acid
CAS No: 2143964-62-7 Catalog No: AG01EE79 MDL No:
Product Description
Catalog Number:
AG01EE79
Chemical Name:
Biotin-PEG8-acid
CAS Number:
2143964-62-7
IUPAC Name:
3-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
InChI:
InChI=1S/C29H53N3O12S/c33-26(4-2-1-3-25-28-24(23-45-25)31-29(36)32-28)30-6-8-38-10-12-40-14-16-42-18-20-44-22-21-43-19-17-41-15-13-39-11-9-37-7-5-27(34)35/h24-25,28H,1-23H2,(H,30,33)(H,34,35)(H2,31,32,36)/t24-,25?,28+/m1/s1
InChI Key:
MPJWZTARMHIZLN-CTGOOGPZSA-N
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
667.335g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
667.812g/mol
Monoisotopic Mass:
667.335g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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