Cas no 65150-68-7 (1-(2-deoxy-3,5-di-O-methylpentofuranosyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione)

1-(2-deoxy-3,5-di-O-methylpentofuranosyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione structure
65150-68-7 structure
Product Name:1-(2-deoxy-3,5-di-O-methylpentofuranosyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
CAS No:65150-68-7
MF:C13H20N2O5
MW:284.308303833008
CID:961572
PubChem ID:312899
Update Time:2025-04-19

1-(2-deoxy-3,5-di-O-methylpentofuranosyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione Chemical and Physical Properties

Names and Identifiers

    • 1-(2-deoxy-3,5-di-O-methylpentofuranosyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
    • 1-[4-methoxy-5-(methoxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
    • XUYFDMFCAKVUOO-UHFFFAOYSA-N
    • NSC-225110
    • Thymidine, 2'-deoxy-N,O,O-trimethyl-
    • NSC225110
    • 65150-68-7
    • DTXSID00310313
    • Inchi： 1S/C13H20N2O5/c1-8-6-15(13(17)14(2)12(8)16)11-5-9(19-4)10(20-11)7-18-3/h6,9-11H,5,7H2,1-4H3
    • InChI Key： XUYFDMFCAKVUOO-UHFFFAOYSA-N
    • SMILES： O1C(CC(C1COC)OC)N1C=C(C)C(N(C)C1=O)=O

Computed Properties

  • Exact Mass: 284.1373
  • Monoisotopic Mass: 284.13722174g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 437
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 68.3?2

Experimental Properties

  • PSA: 68.31

1-(2-deoxy-3,5-di-O-methylpentofuranosyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione Related Literature

65150-68-7 (1-(2-deoxy-3,5-di-O-methylpentofuranosyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione) Related Products

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