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25130-29-4 | Cytidine, 5-chloro- (8CI,9CI)
CAS No: 25130-29-4 Catalog No: AG002QKG MDL No:
Product Description
Catalog Number:
AG002QKG
Chemical Name:
Cytidine, 5-chloro- (8CI,9CI)
CAS Number:
25130-29-4
Molecular Formula:
C9H12ClN3O5
Molecular Weight:
277.6617
IUPAC Name:
4-amino-5-chloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C9H12ClN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
InChI Key:
LOFVQBRIYOQFDZ-UAKXSSHOSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(Cl)c(nc1=O)N
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
277.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
277.661g/mol
Monoisotopic Mass:
277.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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