cytidylyl-(3'-5')-cytidine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 62
Total Number of Articles : 49
PubChem 94237
Molecular Formula

C18H25N6O12P

SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)CO)O)O

InChI

InChI=1S/C18H25N6O12P/c19-9-1-3-23(17(29)21-9)15-12(27)11(26)8(35-15)6-33-37(31,32)36-14-7(5-25)34-16(13(14)28)24-4-2-10(20)22-18(24)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H2,19,21,29)(H2,20,22,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1

synonyms
  • Cytidylyl-(3'-5')-cytidine
  • 2536-99-4
  • EINECS 219-802-9
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Properties
Property Value
MW 548.4 g/mol
HBD 7
HBA 12
Rotatable Bond Count 8
Exact Mass 548.12680725 g/mol
Monoisotopic Mass 548.12680725 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1100
xlogp -6.5
Topological Polar Surface Area 273