Cas no 131177-29-2 (2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[tetrahydro-5-(1-hydroxy-3-oxobutyl)-2-furanyl]-, [2R-[2a,5a(R*)]]- (9CI))

2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[tetrahydro-5-(1-hydroxy-3-oxobutyl)-2-furanyl]-, [2R-[2a,5a(R*)]]- (9CI) structure
131177-29-2 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[tetrahydro-5-(1-hydroxy-3-oxobutyl)-2-furanyl]-, [2R-[2a,5a(R*)]]- (9CI)
CAS No:131177-29-2
MF:C13H18N2O5
MW:282.292423725128
CID:163333
PubChem ID:452512
Update Time:2025-04-19

2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[tetrahydro-5-(1-hydroxy-3-oxobutyl)-2-furanyl]-, [2R-[2a,5a(R*)]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[tetrahydro-5-(1-hydroxy-3-oxobutyl)-2-furanyl]-, [2R-[2a,5a(R*)]]- (9CI)
    • 1-[(2R)-5-[(1R)-1-hydroxy-3-oxobutyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
    • 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-[tetrahydro-5-(1-hydroxy-3-oxobutyl)-2-furanyl]-, [2R-[2a,5a(R*)]]-
    • 5C'-CH3COCH2-dT
    • 131177-29-2
    • DTXSID40927106
    • 1-(1,4-Anhydro-2,3,6,8-tetradeoxy-.beta.-D-erythro-oct-7-ulosyl)thymine
    • 1-[(2R)-5-[(1R)-1-hydroxy-3-oxo-butyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
    • 4-Hydroxy-1-[5-(1-hydroxy-3-oxobutyl)oxolan-2-yl]-5-methylpyrimidin-2(1H)-one
    • 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(tetrahydro-5-(1-hydroxy-3-oxobutyl)-2-furanyl)-, (2R-(2alpha,5alpha(R*)))-
    • 1-(1,4-Anhydro-2,3,6,8-tetradeoxy-beta-D-erythro-oct-7-ulosyl)thymine
    • Inchi： 1S/C13H18N2O5/c1-7-6-15(13(19)14-12(7)18)11-4-3-10(20-11)9(17)5-8(2)16/h6,9-11,17H,3-5H2,1-2H3,(H,14,18,19)/t9-,10?,11-/m1/s1
    • InChI Key： IXFWZOJGLVJGFH-GLYLRITDSA-N
    • SMILES： O1[C@H](CCC1[C@@H](CC(C)=O)O)N1C(NC(C(C)=C1)=O)=O

Computed Properties

  • Exact Mass: 282.12164
  • Monoisotopic Mass: 282.12157168g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 473
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2
  • Topological Polar Surface Area: 95.9?2

Experimental Properties

  • PSA: 95.94

2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[tetrahydro-5-(1-hydroxy-3-oxobutyl)-2-furanyl]-, [2R-[2a,5a(R*)]]- (9CI) Related Literature

131177-29-2 (2,4(1H,3H)-Pyrimidinedione,5-methyl-1-[tetrahydro-5-(1-hydroxy-3-oxobutyl)-2-furanyl]-, [2R-[2a,5a(R*)]]- (9CI)) Related Products

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