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25953-14-4 | Thymidine, 5'-deoxy-5'-iodo-
CAS No: 25953-14-4 Catalog No: AG002R6P MDL No:
Product Description
Catalog Number:
AG002R6P
Chemical Name:
Thymidine, 5'-deoxy-5'-iodo-
CAS Number:
25953-14-4
Molecular Formula:
C10H13IN2O4
Molecular Weight:
352.1257
IUPAC Name:
1-[(2R,4S,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChI Key:
LEQXAJKTJWCXEC-XLPZGREQSA-N
SMILES:
IC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
351.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.128g/mol
Monoisotopic Mass:
351.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Kinetic parameters and recognition of thymidine analogues with varying functional groups by thymidine phosphorylase. | Bioorganic & medicinal chemistry 20080401 |
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