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189164-50-9 | Uridine, 2'-deoxy-2'-iodo-, 5'-benzoate (9CI)
CAS No: 189164-50-9 Catalog No: AG002HZJ MDL No:
Product Description
Catalog Number:
AG002HZJ
Chemical Name:
Uridine, 2'-deoxy-2'-iodo-, 5'-benzoate (9CI)
CAS Number:
189164-50-9
Molecular Formula:
C16H15IN2O6
Molecular Weight:
458.2046
IUPAC Name:
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-iodooxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C16H15IN2O6/c17-12-13(21)10(8-24-15(22)9-4-2-1-3-5-9)25-14(12)19-7-6-11(20)18-16(19)23/h1-7,10,12-14,21H,8H2,(H,18,20,23)/t10-,12-,13-,14-/m1/s1
InChI Key:
GYIAPIPVUURVRG-FMKGYKFTSA-N
SMILES:
O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H]([C@@H]1I)n1ccc(=O)[nH]c1=O
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
457.997g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
458.208g/mol
Monoisotopic Mass:
457.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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