5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 36
Total Number of Articles : 31
PubChem 6852127
Molecular Formula

C14H20N8O8S

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)N)O)O)N

InChI

InChI=1S/C14H20N8O8S/c15-5(1-7(16)23)13(26)21-31(27,28)29-2-6-9(24)10(25)14(30-6)22-4-20-8-11(17)18-3-19-12(8)22/h3-6,9-10,14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/t5-,6+,9+,10+,14+/m0/s1

synonyms
  • 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE
  • NSS
  • CHEMBL1163087
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Properties
Property Value
MW 460.43 g/mol
HBD 6
HBA 13
Rotatable Bond Count 8
Exact Mass 460.11248080 g/mol
Monoisotopic Mass 460.11248080 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 781
xlogp -4.8
Topological Polar Surface Area 269