Cas no 61221-85-0 (4-amino-1-(2,5-dideoxy-beta-D-erythro-hexofuranosyl)pyrimidin-2(1H)-one)

4-amino-1-(2,5-dideoxy-beta-D-erythro-hexofuranosyl)pyrimidin-2(1H)-one structure
61221-85-0 structure
Product Name:4-amino-1-(2,5-dideoxy-beta-D-erythro-hexofuranosyl)pyrimidin-2(1H)-one
CAS No:61221-85-0
MF:C10H15N3O4
MW:241.243802309036
CID:1626100
PubChem ID:191599
Update Time:2025-04-21

4-amino-1-(2,5-dideoxy-beta-D-erythro-hexofuranosyl)pyrimidin-2(1H)-one Chemical and Physical Properties

Names and Identifiers

    • 4-amino-1-(2,5-dideoxy-beta-D-erythro-hexofuranosyl)pyrimidin-2(1H)-one
    • 2(1H)-Pyrimidinone, 4-amino-1-(2,5-dideoxy-beta-D-erythro-hexofuranosyl)-
    • 1-(2,5-Dideoxy-beta-erythro-hexofuranosyl)cytosine
    • 1-Dhfcy
    • 1-(2,5-Dideoxyhexofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol
    • 1-(2,5-Dideoxy-beta-hexofuranosyl)cytosine
    • 61221-85-0
    • 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
    • DTXSID00976731
    • Inchi: 1S/C10H15N3O4/c11-8-1-3-13(10(16)12-8)9-5-6(15)7(17-9)2-4-14/h1,3,6-7,9,14-15H,2,4-5H2,(H2,11,12,16)/t6-,7+,9+/m0/s1
    • InChI Key: KJXFYTTVVMIANM-LKEWCRSYSA-N
    • SMILES: O1[C@H](C[C@@H]([C@H]1CCO)O)N1C(N=C(C=C1)N)=O

Computed Properties

  • Exact Mass: 241.10625597g/mol
  • Monoisotopic Mass: 241.10625597g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 369
  • 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: -2
  • Topological Polar Surface Area: 108?2
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