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116786-62-0 | Thymidine, 3'-azido-3',5'-dideoxy-5'-oxo-
CAS No: 116786-62-0 Catalog No: AG000D83 MDL No:
Product Description
Catalog Number:
AG000D83
Chemical Name:
Thymidine, 3'-azido-3',5'-dideoxy-5'-oxo-
CAS Number:
116786-62-0
Molecular Formula:
C10H11N5O4
Molecular Weight:
265.2254
IUPAC Name:
3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
InChI:
InChI=1S/C10H11N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3-4,6-8H,2H2,1H3,(H,12,17,18)
InChI Key:
APVQGAMECZCZGS-UHFFFAOYSA-N
SMILES:
O=C[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.229g/mol
Monoisotopic Mass:
265.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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