Cas no 151362-68-4 (5'-N-ETHYLCARBOXAMIDOADENOSINE-(ADENINE&)

5'-N-ETHYLCARBOXAMIDOADENOSINE-(ADENINE& structure
151362-68-4 structure
Product Name:5'-N-ETHYLCARBOXAMIDOADENOSINE-(ADENINE&
CAS No:151362-68-4
MF:C12H16N6O4
MW:312.309460163116
CID:99564
Update Time:2023-04-02

5'-N-ETHYLCARBOXAMIDOADENOSINE-(ADENINE& Chemical and Physical Properties

Names and Identifiers

    • b-D-Ribofuranuronamide,1-(6-amino-9H-purin-9-yl-2,8-t2)-1-deoxy-N-ethyl- (9CI)
    • 5'-N-ETHYLCARBOXAMIDOADENOSINE-(ADENINE&
    • Inchi: 1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1/i3T,4T
    • InChI Key: JADDQZYHOWSFJD-QKXSMRAISA-N
    • SMILES: O1[C@@H](N2C3=C(N=C2[3H])C(N)=NC([3H])=N3)[C@H](O)[C@H](O)[C@H]1C(NCC)=O

Computed Properties

  • Exact Mass: 312.14
  • Monoisotopic Mass: 312.14
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 426
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _0.7

5'-N-ETHYLCARBOXAMIDOADENOSINE-(ADENINE& Security Information

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