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1951424-94-4 | Dde biotin-peg4-dbco
CAS No: 1951424-94-4 Catalog No: AG00I33N MDL No:
Product Description
Catalog Number:
AG00I33N
Chemical Name:
Dde biotin-peg4-dbco
CAS Number:
1951424-94-4
IUPAC Name:
5-[(3aR,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]imino-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
InChI:
InChI=1S/C47H61N5O9S/c1-47(2)29-39(53)44(40(54)30-47)36(48-19-17-43(56)52-31-35-11-4-3-9-33(35)15-16-34-10-5-6-12-38(34)52)18-21-58-23-25-60-27-28-61-26-24-59-22-20-49-42(55)14-8-7-13-41-45-37(32-62-41)50-46(57)51-45/h3-6,9-12,37,41,45,53H,7-8,13-14,17-32H2,1-2H3,(H,49,55)(H2,50,51,57)/t37-,41?,45-/m1/s1
InChI Key:
MBDLFOMKROBSCE-GCPDLKGCSA-N
Properties
Complexity:
1660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
871.419g/mol
Formal Charge:
0
Heavy Atom Count:
62
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
872.091g/mol
Monoisotopic Mass:
871.419g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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