Cas no 57064-86-5 (3-O-methoxyacetylthymidine)

3-O-methoxyacetylthymidine structure
3-O-methoxyacetylthymidine structure
Product Name:3-O-methoxyacetylthymidine
CAS No:57064-86-5
MF:C13H18N2O7
MW:314.291224002838
CID:946423
PubChem ID:6453430
Update Time:2025-04-19

3-O-methoxyacetylthymidine Chemical and Physical Properties

Names and Identifiers

    • 3-O-methoxyacetylthymidine
    • [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-methoxyacetate
    • SCHEMBL8432694
    • 57064-86-5
    • 3-MAT
    • Thymidine, 3'-(methoxyacetate)
    • DTXSID80205677
    • Inchi: 1S/C13H18N2O7/c1-7-4-15(13(19)14-12(7)18)10-3-8(9(5-16)21-10)22-11(17)6-20-2/h4,8-10,16H,3,5-6H2,1-2H3,(H,14,18,19)/t8-,9+,10+/m0/s1
    • InChI Key: GLOVHDDZIBVWIO-IVZWLZJFSA-N
    • SMILES: O1[C@H](C[C@@H]([C@H]1CO)OC(COC)=O)N1C(NC(C(C)=C1)=O)=O

Computed Properties

  • Exact Mass: 314.11144
  • Monoisotopic Mass: 314.11140092g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 505
  • 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: -0.9
  • Topological Polar Surface Area: 114?2

Experimental Properties

  • PSA: 114.4

3-O-methoxyacetylthymidine Related Literature

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