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123533-06-2 | Thymidine, 3'-azido-3'-deoxy-5'-O-[dimethyl(1,1,2-trimethylpropyl)silyl]- (9CI)
CAS No: 123533-06-2 Catalog No: AG000KQY MDL No:
Product Description
Catalog Number:
AG000KQY
Chemical Name:
Thymidine, 3'-azido-3'-deoxy-5'-O-[dimethyl(1,1,2-trimethylpropyl)silyl]- (9CI)
CAS Number:
123533-06-2
Molecular Formula:
C18H31N5O4Si
Molecular Weight:
409.5553
IUPAC Name:
1-[4-azido-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C18H31N5O4Si/c1-11(2)18(4,5)28(6,7)26-10-14-13(21-22-19)8-15(27-14)23-9-12(3)16(24)20-17(23)25/h9,11,13-15H,8,10H2,1-7H3,(H,20,24,25)
InChI Key:
ZXUZLQLMSPWYNR-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=N[C@H]1C[C@@H](O[C@@H]1CO[Si](C(C(C)C)(C)C)(C)C)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.215g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.562g/mol
Monoisotopic Mass:
409.215g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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