Cas no 22886-43-7 (cytidylyl-(5'->2')-guanosine)

cytidylyl-(5'->2')-guanosine structure
cytidylyl-(5'->2')-guanosine structure
Product Name:cytidylyl-(5'->2')-guanosine
CAS No:22886-43-7
MF:C19H25N8O12P
MW:588.421964406967
CID:270849
Update Time:2023-11-19

cytidylyl-(5'->2')-guanosine Chemical and Physical Properties

Names and Identifiers

    • 5')- (9CI)
    • [2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetra hydrofuran-3-yl] [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy- tetrahydrofuran-2-yl]methyl hydrogen phosphate
    • (2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate (non-preferred name)
    • [2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] [5-(4-amino-2-oxo-pyrimidin-1-yl
    • Cytidylyl-(5'.2')-guanosine
    • Guanosine, cytidylyl-(5'-2')-
    • Guanylyl-(2',5')-cytidine
    • 2'-O-(5'-Cytidylyl)guanosine
    • [(2R,3R,4R,5R)-2-(2-Amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl][(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
    • CID 135777625
    • cytidylyl-(5'->2')-guanosine
    • Einecs 245-298-5
    • [(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
    • Inchi： 1S/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-28)37-17(13)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1
    • InChI Key： UMZCUWSFHYADTH-VMIOUTBZSA-N
    • SMILES： P(=O)(O)(OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O)O[C@H]1[C@H](N2C=NC3C(NC(N)=NC2=3)=O)O[C@H](CO)[C@H]1O

Computed Properties

  • Exact Mass: 588.133
  • Monoisotopic Mass: 588.133
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 8
  • Complexity: 1170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 299

Experimental Properties

  • Density: 2.31
  • Boiling Point: 1057.6°C at 760 mmHg
  • Flash Point: 593.4°C
  • Refractive Index: 1.927
  • PSA: 317.43000
  • LogP: -3.40230

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