Cas no 101527-68-8 (2,4(1H,3H)-Pyrimidinedione,1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)- (9CI))

2,4(1H,3H)-Pyrimidinedione,1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)- (9CI) structure
101527-68-8 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)- (9CI)
CAS No:101527-68-8
MF:C9H12N2O5
MW:228.201982498169
CID:190644
PubChem ID:453162
Update Time:2025-04-19

2,4(1H,3H)-Pyrimidinedione,1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione,1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)- (9CI)
    • 1-((2R,6R)-6-(Hydroxymethyl)-1,4-dioxan-2-yl)uracil
    • 1-[(2R,6R)-6-(Hydroxymethyl)-1,4-dioxan-2-yl]uracil
    • (6-(Hydroxymethyl)-1,4-dioxan-2-yl)uracil
    • 101527-68-8
    • 2,4(1H,3H)-Pyrimidinedione, 1-(6-(hydroxymethyl)-1,4-dioxan-2-yl)-, (2R-cis)-
    • 1-[(2R,6R)-6-(hydroxymethyl)-1,4-dioxan-2-yl]pyrimidine-2,4-dione
    • 6-OHMe-1,4-dOX-U
    • DTXSID40906299
    • 4-Hydroxy-1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]pyrimidin-2(1H)-one
    • 2,4(1H,3H)-Pyrimidinedione, 1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)-
    • Inchi： 1S/C9H12N2O5/c12-3-6-4-15-5-8(16-6)11-2-1-7(13)10-9(11)14/h1-2,6,8,12H,3-5H2,(H,10,13,14)/t6-,8-/m1/s1
    • InChI Key： ZSLKBIKKAYFZRU-HTRCEHHLSA-N
    • SMILES： O1[C@H](CO)COC[C@@H]1N1C=CC(NC1=O)=O

Computed Properties

  • Exact Mass: 228.07466
  • Monoisotopic Mass: 228.075
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 330
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _1.8
  • Topological Polar Surface Area: 88.1?2

Experimental Properties

  • Density: 1.42
  • Refractive Index: 1.549
  • PSA: 88.1

2,4(1H,3H)-Pyrimidinedione,1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)- (9CI) Related Literature

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