Cas no 24656-30-2 (4-amino-1-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidin-2-one)

4-amino-1-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidin-2-one structure
24656-30-2 structure
Product Name:4-amino-1-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidin-2-one
CAS No:24656-30-2
MF:C9H12N3O7P
MW:305.18124294281
CID:2842767
PubChem ID:3632205
Update Time:2024-03-01

4-amino-1-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidin-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-amino-1-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimi
    • Cytidine 3':5'-cyclic mono??phos??phate, ~98%
    • AC1MTXUL
    • 24656-30-2
    • DTXSID00394491
    • SCHEMBL19954155
    • 4-amino-1-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidin-2-one
    • Inchi: 1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)
    • InChI Key: WCPTXJJVVDAEMW-UHFFFAOYSA-N
    • SMILES: P1(=O)(O)OCC2C(C(C(N3C(N=C(C=C3)N)=O)O2)O)O1

Computed Properties

  • Exact Mass: 305.04128673g/mol
  • Monoisotopic Mass: 305.04128673g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 550
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.3
  • Topological Polar Surface Area: 144

4-amino-1-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidin-2-one Related Literature

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