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101314-73-2 | Thymidine, 5'-deoxy-5'-[(2-iodoacetyl)amino]-
CAS No: 101314-73-2 Catalog No: AG000472 MDL No:
Product Description
Catalog Number:
AG000472
Chemical Name:
Thymidine, 5'-deoxy-5'-[(2-iodoacetyl)amino]-
CAS Number:
101314-73-2
Molecular Formula:
C12H16IN3O5
Molecular Weight:
409.1770
IUPAC Name:
N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-iodoacetamide
InChI:
InChI=1S/C12H16IN3O5/c1-6-5-16(12(20)15-11(6)19)10-2-7(17)8(21-10)4-14-9(18)3-13/h5,7-8,10,17H,2-4H2,1H3,(H,14,18)(H,15,19,20)/t7-,8+,10+/m0/s1
InChI Key:
NWGXFMGORNLEMS-QXFUBDJGSA-N
SMILES:
ICC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
409.013g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
409.18g/mol
Monoisotopic Mass:
409.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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