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5'-Deoxyuridine

CAS No.:
15958-99-3
Catalog Number:
AG001R6S
Molecular Formula:
C9H12N2O5
Molecular Weight:
228.2020
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Product Description
Catalog Number:
AG001R6S
Chemical Name:
5'-Deoxyuridine
CAS Number:
15958-99-3
Molecular Formula:
C9H12N2O5
Molecular Weight:
228.2020
MDL Number:
MFCD00075093
IUPAC Name:
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6-,7-,8-/m1/s1
InChI Key:
WUBAOANSQGKRHF-XVFCMESISA-N
SMILES:
C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
228.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.204g/mol
Monoisotopic Mass:
228.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Literature
Title Journal
Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria. The Journal of biological chemistry 20120713
Properties