Cas no 3506-17-0 (Cytidine5'-(trihydrogen diphosphate), P'®5-ester with D-ribitol (9CI))

Cytidine5'-(trihydrogen diphosphate), P'®5-ester with D-ribitol (9CI) structure
3506-17-0 structure
Product Name:Cytidine5'-(trihydrogen diphosphate), P'®5-ester with D-ribitol (9CI)
CAS No:3506-17-0
MF:C14H25N3O15P2
MW:537.306926488876
CID:295863
PubChem ID:165130
Update Time:2025-04-19

Cytidine5'-(trihydrogen diphosphate), P'®5-ester with D-ribitol (9CI) Chemical and Physical Properties

Names and Identifiers

    • [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
    • 5-ester with D-ribitol (9CI)
    • Cytidine5'-(trihydrogen diphosphate), P'&reg
    • SCHEMBL22098796
    • CDP-L-ribitol
    • cytidine 5'-{3-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen diphosphate}
    • C00789
    • CDP 5-ester with D-ribitol
    • DTXSID70188561
    • Q27098341
    • Cdp ribitol
    • CDP-ribitol
    • Cytidine diphosphate ribitol
    • V2V
    • 3506-17-0
    • CDPribitol
    • cytidine 5'-{3-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen diphosphate}
    • CHEBI:16022
    • [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate (non-preferred name)
    • Cytidine 5'-(trihydrogen diphosphate), P'-5-ester with D-ribitol
    • Cytidine5'-(trihydrogen diphosphate), P'®5-ester with D-ribitol (9CI)
    • Inchi: 1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1
    • InChI Key: DPJKHFICSGCNIR-HRENORGGSA-N
    • SMILES: P(=O)(O)(OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O

Computed Properties

  • Exact Mass: 537.07609109g/mol
  • Monoisotopic Mass: 537.07609109g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 12
  • Complexity: 886
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.5
  • Topological Polar Surface Area: 292?2

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