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5-Fluoro Cytidine

CAT: 0024-sc-221026Size: 1 gDry Ice: NoHazardous: No
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CAS Number
2341-22-2

Chemical Information

5-Fluorocytidine

5-fluorocytidine is a member of cytidines and an organofluorine compound.

CAS Number2341-22-2
PubChem CID16861
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
Molecular FormulaC9H12FN3O5
Molecular Weight261.21
XLogP-2.1
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity426
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F
InChI
InChI=1S/C9H12FN3O5/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
InChIKey
STRZQWQNZQMHQR-UAKXSSHOSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluorocytidine
CAS: 2341-22-2
CID: 16861
Formula: C9H12FN3O5
MW: 261.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight261.21
XLogP3-2.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass261.07609865
Monoisotopic Mass261.07609865
Topological Polar Surface Area129 Ų
Heavy Atom Count18
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes