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114748-57-1 | Cytidine, 2',3'-dideoxy-5-iodo-
CAS No: 114748-57-1 Catalog No: AG000F5P MDL No:
Product Description
Catalog Number:
AG000F5P
Chemical Name:
Cytidine, 2',3'-dideoxy-5-iodo-
CAS Number:
114748-57-1
Molecular Formula:
C9H12IN3O3
Molecular Weight:
337.1143
IUPAC Name:
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
InChI:
InChI=1S/C9H12IN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1
InChI Key:
AMWJPSDPTPKJGN-CAHLUQPWSA-N
SMILES:
Nc1nc(=O)n(cc1I)[C@H]1CC[C@H](O1)CO
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
336.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.117g/mol
Monoisotopic Mass:
336.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Inhibition of Mycobacterium tuberculosis, Mycobacterium bovis, and Mycobacterium avium by novel dideoxy nucleosides. | Journal of medicinal chemistry 20070920 |
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