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118068-34-1 | Uridine,2'-deoxy-5-(2-iodoethenyl)-3-methyl-, (E)- (9CI)
CAS No: 118068-34-1 Catalog No: AG0081CE MDL No:
Product Description
Catalog Number:
AG0081CE
Chemical Name:
Uridine,2'-deoxy-5-(2-iodoethenyl)-3-methyl-, (E)- (9CI)
CAS Number:
118068-34-1
Molecular Formula:
C12H15IN2O5
Molecular Weight:
394.1624
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodoethenyl)-3-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C12H15IN2O5/c1-14-11(18)7(2-3-13)5-15(12(14)19)10-4-8(17)9(6-16)20-10/h2-3,5,8-10,16-17H,4,6H2,1H3/t8-,9+,10+/m0/s1
InChI Key:
MJMQFCSOWLTHNK-IVZWLZJFSA-N
SMILES:
IC=Cc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)n(c1=O)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
394.003g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.165g/mol
Monoisotopic Mass:
394.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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