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202002-13-9 | Uridine, 2',5-dibromo-2'-deoxy-, 5'-benzoate (9CI)
CAS No: 202002-13-9 Catalog No: AG0027ZQ MDL No:
Product Description
Catalog Number:
AG0027ZQ
Chemical Name:
Uridine, 2',5-dibromo-2'-deoxy-, 5'-benzoate (9CI)
CAS Number:
202002-13-9
Molecular Formula:
C16H14Br2N2O6
Molecular Weight:
490.1002
IUPAC Name:
[(2R,3R,4R,5R)-4-bromo-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C16H14Br2N2O6/c17-9-6-20(16(24)19-13(9)22)14-11(18)12(21)10(26-14)7-25-15(23)8-4-2-1-3-5-8/h1-6,10-12,14,21H,7H2,(H,19,22,24)/t10-,11-,12-,14-/m1/s1
InChI Key:
LMIWARFCLUPCMT-HKUMRIAESA-N
SMILES:
O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@H]([C@@H]1Br)n1cc(Br)c(=O)[nH]c1=O
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
489.92g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
490.104g/mol
Monoisotopic Mass:
487.922g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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