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139705-99-0 | Uridine, 2'-deoxy-2'-(methylsulfonyl)- (9CI)
CAS No: 139705-99-0 Catalog No: AG001BJ1 MDL No:
Product Description
Catalog Number:
AG001BJ1
Chemical Name:
Uridine, 2'-deoxy-2'-(methylsulfonyl)- (9CI)
CAS Number:
139705-99-0
Molecular Formula:
C10H14N2O7S
Molecular Weight:
306.2924
IUPAC Name:
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfonyloxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C10H14N2O7S/c1-20(17,18)8-7(15)5(4-13)19-9(8)12-3-2-6(14)11-10(12)16/h2-3,5,7-9,13,15H,4H2,1H3,(H,11,14,16)/t5-,7-,8-,9-/m1/s1
InChI Key:
GNTXIAMUSSTSEA-ZOQUXTDFSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)S(=O)(=O)C)n1ccc(=O)[nH]c1=O
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
306.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.289g/mol
Monoisotopic Mass:
306.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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