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1763-02-6 | 5'-Uridylic acid, 2'-deoxy-5-iodo-
CAS No: 1763-02-6 Catalog No: AG0024KM MDL No:
Product Description
Catalog Number:
AG0024KM
Chemical Name:
5'-Uridylic acid, 2'-deoxy-5-iodo-
CAS Number:
1763-02-6
Molecular Formula:
C9H12IN2O8P
Molecular Weight:
434.0784
IUPAC Name:
[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
InChI Key:
WXFYBFRZROJDLL-RRKCRQDMSA-N
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cc(I)c(=O)[nH]c1=O
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
433.938g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
434.079g/mol
Monoisotopic Mass:
433.938g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
Literature
| Title | Journal |
|---|---|
| Interaction of nucleotide excision repair factors XPC-HR23B, XPA, and RPA with damaged DNA. | Biochemistry. Biokhimiia 20080801 |
| Thymidine and thymidine-5'-O-monophosphate analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase. | Bioorganic & medicinal chemistry letters 20030915 |
| Synthesis and evaluation of thymidine-5'-O-monophosphate analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase. | Bioorganic & medicinal chemistry letters 20021007 |
| Synthesis and antitumor and antiviral properties of 5-halo- and 5-(trifluoromethyl)-2'-deoxyuridine 3',5'-cyclic monophosphates and neutral triesters. | Journal of medicinal chemistry 19860701 |
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