bis(3',5')-cyclic diguanylic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 120
Total Number of Articles : 112
PubChem 137295286
Molecular Formula

C20H24N10O14P2

SMILES

C1[C@@H]2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(OCC5C([C@H](C(O5)N6C=NC7=C6N=C(NC7=O)N)O)OP(=O)(O1)O)O

InChI

InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6?,9?,10-,11?,12?,17?,18?/m1/s1

synonyms
  • Bis(3',5')-cyclic diguanylic acid
  • BCP25154
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Properties
Property Value
MW 690.4 g/mol
HBD 8
HBA 18
Rotatable Bond Count 2
Exact Mass 690.09486947 g/mol
Monoisotopic Mass 690.09486947 g/mol
Heavy Atom Count 46
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1340
xlogp -6.8
Topological Polar Surface Area 341