Cas no 27248-39-1 (D-Ribitol,1-deoxy-1-[(2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)amino]- (9CI))

D-Ribitol,1-deoxy-1-[(2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)amino]- (9CI) structure
27248-39-1 structure
Product Name:D-Ribitol,1-deoxy-1-[(2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)amino]- (9CI)
CAS No:27248-39-1
MF:C9H17N5O5
MW:275.261781454086
CID:250926
PubChem ID:135554449
Update Time:2025-04-19

D-Ribitol,1-deoxy-1-[(2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)amino]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • D-Ribitol,1-deoxy-1-[(2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)amino]- (9CI)
    • 2,5-diamino-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidin-4-one
    • D-Ribitol, 1-deoxy-1-((2,5-diamino-1,6-dihydro-6-oxo-4-pyrimidinyl)amino)-
    • DTXSID00181702
    • 4-Ribitylamino-2,5-diamino-6-hydroxypyrimidine
    • RADHP
    • 27248-39-1
    • SCHEMBL1512985
    • Inchi: 1S/C9H17N5O5/c10-5-7(13-9(11)14-8(5)19)12-1-3(16)6(18)4(17)2-15/h3-4,6,15-18H,1-2,10H2,(H4,11,12,13,14,19)/t3-,4+,6-/m0/s1
    • InChI Key: FCJPQLSIAKACJT-RPDRRWSUSA-N
    • SMILES: O[C@H]([C@@H](CO)O)[C@H](CNC1=C(C(NC(N)=N1)=O)N)O

Computed Properties

  • Exact Mass: 275.12296866g/mol
  • Monoisotopic Mass: 275.12296866g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 410
  • 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: -3.6
  • Topological Polar Surface Area: 186?2
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