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365441-71-0 | (+)-Biotin-PEG12-CH2CH2COONHS Ester
CAS No: 365441-71-0 Catalog No: AG00CILH MDL No:
Product Description
Catalog Number:
AG00CILH
Chemical Name:
(+)-Biotin-PEG12-CH2CH2COONHS Ester
CAS Number:
365441-71-0
Molecular Formula:
C41H72N4O18S
Molecular Weight:
941.0914
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C41H72N4O18S/c46-36(4-2-1-3-35-40-34(33-64-35)43-41(50)44-40)42-8-10-52-12-14-54-16-18-56-20-22-58-24-26-60-28-30-62-32-31-61-29-27-59-25-23-57-21-19-55-17-15-53-13-11-51-9-7-39(49)63-45-37(47)5-6-38(45)48/h34-35,40H,1-33H2,(H,42,46)(H2,43,44,50)/t34-,35-,40-/m0/s1
InChI Key:
WOLXSUFTTIRQOU-BVCQTOFBSA-N
SMILES:
O=C(CCCCC1SCC2C1NC(=O)N2)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
1250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
940.456g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
941.097g/mol
Monoisotopic Mass:
940.456g/mol
Rotatable Bond Count:
46
Topological Polar Surface Area:
270A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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