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113737-50-1 | Cytidine, N-(2-chloroacetyl)-
CAS No: 113737-50-1 Catalog No: AG0009HN MDL No:
Product Description
Catalog Number:
AG0009HN
Chemical Name:
Cytidine, N-(2-chloroacetyl)-
CAS Number:
113737-50-1
Molecular Formula:
C11H14ClN3O6
Molecular Weight:
319.6984
IUPAC Name:
2-chloro-N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
InChI:
InChI=1S/C11H14ClN3O6/c12-3-7(17)13-6-1-2-15(11(20)14-6)10-9(19)8(18)5(4-16)21-10/h1-2,5,8-10,16,18-19H,3-4H2,(H,13,14,17,20)
InChI Key:
WEJWVQRPBCYTRE-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)NC(=O)CCl
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
319.698g/mol
Monoisotopic Mass:
319.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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