Cas no 28854-96-8 (Tritiated thymidine)

Tritiated thymidine structure
Tritiated thymidine structure
Product Name:Tritiated thymidine
CAS No:28854-96-8
MF:C10H14N2O5
MW:244.23667216301
CID:277770
Update Time:2023-08-02

Tritiated thymidine Chemical and Physical Properties

Names and Identifiers

    • Thymidine-t(6CI,7CI,8CI,9CI)
    • Thymidine-t
    • Tritiated thymidine
    • 1-[2-(O~5~-~3~H)Deoxypentofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one
    • Inchi: 1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i13T
    • InChI Key: IQFYYKKMVGJFEH-OFKYTIFKSA-N
    • SMILES: O1[C@H](CO[3H])[C@H](C[C@@H]1N1C(NC(C(C)=C1)=O)=O)O

Computed Properties

  • Exact Mass: 244.098496
  • Monoisotopic Mass: 244.098496
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 381
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 99.1

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
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