Cas no 919360-77-3 (5-(Cyanomethyl)-2'-deoxycytidine)

5-(Cyanomethyl)-2'-deoxycytidine structure
919360-77-3 structure
Product Name:5-(Cyanomethyl)-2'-deoxycytidine
CAS No:919360-77-3
MF:C11H14N4O4
MW:266.253262042999
CID:763389
Update Time:2023-08-03

5-(Cyanomethyl)-2'-deoxycytidine Chemical and Physical Properties

Names and Identifiers

    • Cytidine, 5-(cyanomethyl)-2'-deoxy-
    • 2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]acetonitrile
    • 5-(Cyanomethyl)-2'-deoxycytidine
    • Inchi: 1S/C11H14N4O4/c12-2-1-6-4-15(11(18)14-10(6)13)9-3-7(17)8(5-16)19-9/h4,7-9,16-17H,1,3,5H2,(H2,13,14,18)/t7-,8+,9+/m0/s1
    • InChI Key: ADTUYFILUJEVOR-DJLDLDEBSA-N
    • SMILES: O1[C@H](CO)[C@H](C[C@@H]1N1C(N=C(C(CC#N)=C1)N)=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 492
  • XLogP3: -2.1
  • Topological Polar Surface Area: 132
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