Molecular Identity
An inositol
cyclohexane-1,2,3,4,5,6-hexol
PubChem CID: 892
Myo-inositol is an inositol having myo- configuration. It has a role as a member of compatible osmolytes, a nutrient, an EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a human metabolite and a Daphnia magna metabolite.
2D Structure
Properties
C6H12O6
Molecular Formula
180.16
Molecular Weight
g/mol
180.0634
Exact Mass
Da
-3.7
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
6
H-Bond Donors
6
H-Bond Acceptors
104
Complexity
SMILES
Canonical SMILES
SMILES: C1(C(C(C(C(C1O)O)O)O)O)OIsomeric SMILES
SMILES: C1(C(C(C(C(C1O)O)O)O)O)OSynonyms(20)
an inositolRefChem:1076961Scyllo-inositolinositolmyo-inositolMuco-Inositolepi-InositolAllo-inositolD-chiro-Inositoli-Inositol87-89-8meso-Inositol643-12-91D-Chiro-inositol488-59-5
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to An inositol
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