inositol 1,4-bisphosphate 5-phosphorothioate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 35
Total Number of Articles : 28
PubChem 3081110
Molecular Formula

C6H15O14P3S

SMILES

[C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)O)OP(=S)(O)O)OP(=O)(O)O)O)O

InChI

InChI=1S/C6H15O14P3S/c7-1-2(8)5(19-22(13,14)15)6(20-23(16,17)24)3(9)4(1)18-21(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,24)/t1-,2+,3+,4-,5-,6-/m0/s1

synonyms
  • Insp3S
  • Inositol 1,4-bisphosphate 5-phosphorothioate
  • 116778-73-5
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Properties
Property Value
MW 436.16 g/mol
HBD 9
HBA 15
Rotatable Bond Count 6
Exact Mass 435.93953731 g/mol
Monoisotopic Mass 435.93953731 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 579
xlogp -5.3
Topological Polar Surface Area 276