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14985-32-1 | Uridine, 2'-deoxy-5-(methylthio)-
CAS No: 14985-32-1 Catalog No: AG001M1U MDL No:
Product Description
Catalog Number:
AG001M1U
Chemical Name:
Uridine, 2'-deoxy-5-(methylthio)-
CAS Number:
14985-32-1
Molecular Formula:
C10H14N2O5S
Molecular Weight:
274.2936
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H14N2O5S/c1-18-7-3-12(10(16)11-9(7)15)8-2-5(14)6(4-13)17-8/h3,5-6,8,13-14H,2,4H2,1H3,(H,11,15,16)/t5-,6+,8+/m0/s1
InChI Key:
NQJYWLBQAUXGGI-SHYZEUOFSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(SC)c(=O)[nH]c1=O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
274.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.291g/mol
Monoisotopic Mass:
274.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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