5'-deoxy-5'-S-isobutylthioadenosine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 123674
Molecular Formula

C14H21N5O3S

SMILES

CC(C)CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

InChI

InChI=1S/C14H21N5O3S/c1-7(2)3-23-4-8-10(20)11(21)14(22-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20-21H,3-4H2,1-2H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1

synonyms
  • SIBA
  • 35899-54-8
  • 5'-ISOBUTYLTHIO-5'-DEOXYADENOSINE
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Properties
Property Value
MW 339.42 g/mol
HBD 3
HBA 8
Rotatable Bond Count 5
Exact Mass 339.13651072 g/mol
Monoisotopic Mass 339.13651072 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 405
xlogp 1.1
Topological Polar Surface Area 145