Inositol 1,4,5-Trisphosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1188
Total Number of Articles : 2678
PubChem 439456
Molecular Formula

C6H15O15P3

SMILES

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

InChI

InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1

synonyms
  • inositol 1,4,5-trisphosphate
  • 85166-31-0
  • 1,4,5-Insp3
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Properties
Property Value
MW 420.10 g/mol
HBD 9
HBA 15
Rotatable Bond Count 6
Exact Mass 419.96238076 g/mol
Monoisotopic Mass 419.96238076 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 574
xlogp -7
Topological Polar Surface Area 261